SCHEMBL9906371

SCHEMBL9906371

Cc1cc(C(C)C)n(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.59
MAPK1 P28482 2/20 0.59
CYP1A2 P05177 2/20 0.59
RAB9A P51151 2/20 0.58
FCGR1A P12314 1/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 6/20 0.53
HPGD P15428 3/20 0.53
NTRK1 P04629 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL17051086 0.86 ALDH1A1 (0.61) CYP2C19MAPK1CYP1A2RAB9AFCGR1A
SCHEMBL17051068 0.85 MAPK1 (0.43) CYP2C19MAPK1CYP1A2RAB9AFCGR1A
SCHEMBL25510568 0.84 FCGR1A (0.46) CYP2C19MAPK1CYP1A2RAB9AFCGR1A
SCHEMBL18161148 0.84 PPARA (0.47) CYP2C19MAPK1CYP1A2RAB9AFCGR1A
SCHEMBL17051085 0.84 POLB (0.57) CYP2C19MAPK1CYP1A2RAB9AFCGR1A
SCHEMBL18161149 0.83 GAA (0.58) CYP2C19MAPK1CYP1A2GAAHPGD
SCHEMBL13957374 0.83 MAPK1 (0.58) CYP2C19MAPK1CYP1A2RAB9AFCGR1A
SCHEMBL20681363 0.82 ALDH1A1 (0.62) CYP2C19MAPK1CYP1A2RAB9AFCGR1A
SCHEMBL23401080 0.79 ALDH1A1 (0.50) CYP2C19MAPK1CYP1A2RAB9AFCGR1A
SCHEMBL964125 0.78 MAPK1 (0.66) CYP2C19MAPK1CYP1A2RAB9AFCGR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 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 (5 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A CYP2C19 2090/4885MAPK1 1406/4885CYP1A2 2761/4885
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A CYP2C19 607/4885MAPK1 3190/4885CYP1A2 199/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 CYP2C19 1818/4885MAPK1 1454/4885CYP1A2 2489/4885
US-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CYP2C19 484/4885MAPK1 248/4885CYP1A2 192/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CYP2C19 1818/4885MAPK1 1454/4885CYP1A2 2489/4885

“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.