SCHEMBL10104504

SCHEMBL10104504

Cc1cc(C2=CCNCC2)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.62
SIGMAR1 Q99720 2/20 0.45
QDPR P09417 3/20 0.42
P2RY14 Q15391 1/20 0.42
SOS1 Q07889 1/20 0.40
NOTUM Q6P988 1/20 0.40
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 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
SCHEMBL17232840 0.89 HTR2C (0.71) HTR2CSIGMAR1QDPRP2RY14ALOX5AP
Hydrochloric Acid SCHEMBL17222909 0.87 HTR2C (0.72) HTR2CSIGMAR1QDPRP2RY14HTR6
SCHEMBL5319444 0.84 SIGMAR1 (0.57) HTR2CSIGMAR1QDPRTGFBR1ACVR1
SCHEMBL20040946 0.82 HTR2C (0.62) HTR2CSIGMAR1QDPRP2RY14ALOX5AP
SCHEMBL10104548 0.78 JAK2 (0.47) HTR2CSIGMAR1QDPRTGFBR1ACVR1
SCHEMBL1472528 0.77 HTR2C (0.69) HTR2CSIGMAR1QDPRP2RY14HTR6
SCHEMBL186156 0.77 HTR2C (1.00) HTR2CSIGMAR1QDPRP2RY14SOS1
SCHEMBL3326149 0.77 HTR2C (0.64) HTR2CSIGMAR1QDPRP2RY14TGFBR1
SCHEMBL794079 0.76 HTR2C (0.56) HTR2CSIGMAR1QDPRP2RY14HTR2A
Hydrochloric Acid SCHEMBL4147499 0.76 HTR2C (0.65) HTR2CSIGMAR1QDPRP2RY14ALOX5AP

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 10 patents. 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-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-02-01 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-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-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
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (6 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 HTR2C 189/4885SIGMAR1 168/4885QDPR 42/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 HTR2C 188/4885SIGMAR1 137/4885QDPR 41/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 HTR2C 2673/4885SIGMAR1 575/4885QDPR 4063/4885
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 HTR2C 189/4885SIGMAR1 168/4885QDPR 42/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 HTR2C 189/4885SIGMAR1 168/4885QDPR 42/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 HTR2C 2276/4885SIGMAR1 1988/4885QDPR 505/4885

“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.