SCHEMBL17229681

SCHEMBL17229681

CC(C)C(=O)N1CCc2[nH]nc(C(C)C)c2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
CREBBP Q92793 13/20 0.41
EP300 Q09472 12/20 0.41
BRD4 O60885 2/20 0.41
CYP2C19 P33261 1/20 0.41
RBP4 P02753 1/20 0.38
AURKA O14965 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38

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
SCHEMBL17465956 0.92 PLA2G1B (0.38) MAPK1CREBBPEP300BRD4CYP2C19
SCHEMBL17229709 0.90 RBP4 (0.44) MAPK1CREBBPEP300BRD4RBP4
SCHEMBL17229762 0.88 AURKA (0.46) MAPK1CREBBPEP300BRD4CYP2C19
SCHEMBL17229697 0.87 MAPK1 (0.55) MAPK1CREBBPEP300BRD4
SCHEMBL16219059 0.85 CREBBP (0.43) MAPK1CREBBPEP300BRD4CYP2C19
SCHEMBL17229688 0.83 CREBBP (0.41) MAPK1CREBBPEP300BRD4CYP2C19
SCHEMBL18798833 0.83 BAZ2B (0.47) MAPK1CREBBPEP300BRD4CYP2C19
SCHEMBL17229675 0.83 CREBBP (0.60) MAPK1CREBBPEP300BRD4CYP2C19
SCHEMBL17229851 0.83 CREBBP (0.44) MAPK1CREBBPEP300BRD4RBP4
SCHEMBL17229776 0.82 CREBBP (0.47) MAPK1CREBBPEP300BRD4CYP2C19

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 33 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-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-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-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-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 (15 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 MAPK1 2271/4885CREBBP 1412/4885EP300 192/4885
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use HRH3, CBR3, KCNH3 MAPK1 2611/4885CREBBP 2603/4885EP300 124/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS MAPK1 2881/4885CREBBP 2642/4885EP300 2060/4885
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 MAPK1 2271/4885CREBBP 1412/4885EP300 192/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 MAPK1 2284/4885CREBBP 1416/4885EP300 208/4885
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 MAPK1 2073/4885CREBBP 1474/4885EP300 166/4885
US-20210214360-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 MAPK1 2271/4885CREBBP 1412/4885EP300 192/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S MAPK1 4277/4885CREBBP 2111/4885EP300 1019/4885
US-11028098-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 MAPK1 1801/4885CREBBP 1456/4885EP300 215/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 MAPK1 2611/4885CREBBP 2603/4885EP300 124/4885
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use CLN6, ALDH1A2, C1S MAPK1 4277/4885CREBBP 2111/4885EP300 1019/4885
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 MAPK1 2271/4885CREBBP 1412/4885EP300 192/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S MAPK1 4277/4885CREBBP 2111/4885EP300 1019/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 MAPK1 2271/4885CREBBP 1412/4885EP300 192/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS MAPK1 2881/4885CREBBP 2642/4885EP300 2060/4885

“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.