SCHEMBL17229701

SCHEMBL17229701

CCC(=O)N1Cc2[nH]nc(C(C)C)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.47
BRD4 O60885 1/20 0.47
EP300 Q09472 2/20 0.41
RBP4 P02753 3/20 0.39
AURKA O14965 9/20 0.35
CCNA2 P20248 7/20 0.35
CDK2 P24941 7/20 0.35
CCNA1 P78396 7/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
MAPK1 P28482 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
CHRNB2 P17787 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
SCHEMBL17229675 0.89 CREBBP (0.60) CREBBPBRD4EP300RBP4MAPK1
SCHEMBL17229691 0.87 CREBBP (0.53) CREBBPBRD4EP300RBP4MAPK1
SCHEMBL17229774 0.87 CREBBP (0.36) CREBBPBRD4EP300RBP4AURKA
SCHEMBL17229673 0.87 RBP4 (0.43) CREBBPBRD4RBP4AURKACCNA2
SCHEMBL17229760 0.86 CREBBP (0.52) CREBBPBRD4EP300RBP4MAPK1
SCHEMBL17229719 0.86 CGAS (0.37) CREBBPBRD4EP300RBP4AURKA
SCHEMBL17229815 0.85 AURKA (0.36) CREBBPBRD4EP300RBP4AURKA
SCHEMBL19297287 0.83 RBP4 (0.38) CREBBPBRD4RBP4AURKACCNA2
SCHEMBL17229680 0.83 CCNA2 (0.48) CREBBPBRD4EP300RBP4AURKA
SCHEMBL17229762 0.82 AURKA (0.46) CREBBPBRD4EP300RBP4AURKA

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 24 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-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-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-20190031681-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-01-31 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-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-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 (14 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 CREBBP 1412/4885BRD4 57/4885EP300 192/4885
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use HRH3, CBR3, KCNH3 CREBBP 2603/4885BRD4 45/4885EP300 124/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS CREBBP 2642/4885BRD4 1651/4885EP300 2060/4885
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 CREBBP 1412/4885BRD4 57/4885EP300 192/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CREBBP 1416/4885BRD4 72/4885EP300 208/4885
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 CREBBP 1474/4885BRD4 11/4885EP300 166/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CREBBP 2111/4885BRD4 1237/4885EP300 1019/4885
US-11028098-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 CREBBP 1456/4885BRD4 10/4885EP300 215/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CREBBP 2603/4885BRD4 45/4885EP300 124/4885
US-20190031681-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 CREBBP 1456/4885BRD4 10/4885EP300 215/4885
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use CLN6, ALDH1A2, C1S CREBBP 2111/4885BRD4 1237/4885EP300 1019/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CREBBP 2603/4885BRD4 45/4885EP300 124/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CREBBP 2111/4885BRD4 1237/4885EP300 1019/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 CREBBP 1412/4885BRD4 57/4885EP300 192/4885

“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.