SCHEMBL17229852

SCHEMBL17229852

Cc1nc2ccc(Cl)nn2c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 7/20 0.35
DYRK2 Q92630 7/20 0.35
CDK5 Q00535 6/20 0.35
CDK5R1 Q15078 6/20 0.35
DYRK1B Q9Y463 6/20 0.35
DYRK3 O43781 5/20 0.35
CCNA2 P20248 5/20 0.35
CDK2 P24941 5/20 0.35
CCNT1 O60563 4/20 0.35
CDK9 P50750 4/20 0.35
TNF P01375 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17515540 0.84 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20053787 0.82 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL26597344 0.81 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12798307 0.78 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL18875749 0.76 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL477062 0.75 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL13122629 0.75 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL31001942 0.75 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL4052890 0.75 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
Bromide SCHEMBL10399879 0.74 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-16 US disclosed
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 US disclosed
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-11-25 US disclosed
US-11028098-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-08 US disclosed
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-02-09 US disclosed
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-29 US disclosed
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-02-25 US disclosed
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-24 US disclosed
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-10 US disclosed
US-10273243-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-30 US disclosed
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-31 US disclosed
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-31 US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 US disclosed
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-22 US disclosed
US-9434727-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-09-06 US disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-01-28 US disclosed
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10273243-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 KDM4E 1332/4885ALDH1A1 2473/4885SMN1; SMN2 4397/4885
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 KDM4E 1520/4885ALDH1A1 3360/4885SMN1; SMN2 3850/4885
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use HRH3, CBR3, KCNH3 KDM4E 723/4885ALDH1A1 2874/4885SMN1; SMN2 3561/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS KDM4E 1304/4885ALDH1A1 875/4885SMN1; SMN2 2790/4885
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 KDM4E 1520/4885ALDH1A1 3360/4885SMN1; SMN2 3850/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 KDM4E 1562/4885ALDH1A1 3390/4885SMN1; SMN2 3876/4885
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 KDM4E 1279/4885ALDH1A1 2713/4885SMN1; SMN2 4464/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S KDM4E 4528/4885ALDH1A1 1057/4885SMN1; SMN2 1454/4885
US-11028098-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 KDM4E 1343/4885ALDH1A1 2360/4885SMN1; SMN2 4310/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 KDM4E 723/4885ALDH1A1 2874/4885SMN1; SMN2 3561/4885
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use CLN6, ALDH1A2, C1S KDM4E 4528/4885ALDH1A1 1057/4885SMN1; SMN2 1454/4885
US-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 KDM4E 3774/4885ALDH1A1 3010/4885SMN1; SMN2 3427/4885
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 KDM4E 1520/4885ALDH1A1 3360/4885SMN1; SMN2 3850/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S KDM4E 4528/4885ALDH1A1 1057/4885SMN1; SMN2 1454/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 KDM4E 1520/4885ALDH1A1 3360/4885SMN1; SMN2 3850/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS KDM4E 1304/4885ALDH1A1 875/4885SMN1; SMN2 2790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.