SCHEMBL17229801

SCHEMBL17229801

CC(C)c1noc2c1CCNC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 12/20 0.47
▸ CHRM5 P08912 7/20 0.47
▸ CHRM1 P11229 7/20 0.47
▸ CHRM2 P08172 6/20 0.47
▸ CHRM4 P08173 6/20 0.47
▸ HTR2C P28335 3/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR7 P34969 2/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1E P28566 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR5A P47898 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ GMNN O75496 1/20 0.37

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
SCHEMBL19297281 0.86 CHRM3 (0.58) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL12292410 0.76 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL11914619 0.73 MEN1 (0.41) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL11914628 0.73 MEN1 (0.44) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL247815 0.72 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL5533785 0.72 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL24355248 0.71 HTR2C (0.77) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL17234787 0.71 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL3983708 0.70 CHRM3 (0.45) CHRM3CHRM5CHRM1CHRM2CHRM4
Gaboxadol SCHEMBL567225 0.70 CHRM3 (0.49) CHRM3CHRM5CHRM1CHRM2CHRM4

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 27 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-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-20210214360-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-07-15 — — 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-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-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-09 — — US disclosed
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-09 — — US disclosed
US-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 — — US disclosed
US-9777010-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-10-03 — — 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-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 (13 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-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CHRM3 61/4885CHRM5 129/4885CHRM1 98/4885
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use HRH3, CBR3, KCNH3 CHRM3 6/4885CHRM5 27/4885CHRM1 14/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS CHRM3 476/4885CHRM5 388/4885CHRM1 1635/4885
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 CHRM3 61/4885CHRM5 129/4885CHRM1 98/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CHRM3 70/4885CHRM5 139/4885CHRM1 111/4885
US-20210214360-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CHRM3 61/4885CHRM5 129/4885CHRM1 98/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CHRM3 501/4885CHRM5 764/4885CHRM1 311/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CHRM3 6/4885CHRM5 27/4885CHRM1 14/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CHRM3 6/4885CHRM5 27/4885CHRM1 14/4885
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 CHRM3 61/4885CHRM5 129/4885CHRM1 98/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CHRM3 501/4885CHRM5 764/4885CHRM1 311/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 CHRM3 61/4885CHRM5 129/4885CHRM1 98/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS CHRM3 476/4885CHRM5 388/4885CHRM1 1635/4885

“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.

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