SCHEMBL3333995

SCHEMBL3333995

Fc1ccc(C2CCCN2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.42
HCRTR2 O43614 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CHRM5 P08912 4/20 0.39
CHRM3 P20309 4/20 0.39
CHRM2 P08172 4/20 0.39
CHRM1 P11229 3/20 0.39
CHRM4 P08173 3/20 0.39
OPRL1 P41146 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 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
SCHEMBL28840097 1.00 MEN1 (0.46) MEN1KMT2AKCNH2HCRTR2HTR2A
SCHEMBL28840102 1.00 MEN1 (0.46) MEN1KMT2AKCNH2HCRTR2HTR2A
SCHEMBL29749243 1.00 MEN1 (0.46) MEN1KMT2AKCNH2HCRTR2HTR2A
Hydrochloric Acid SCHEMBL28593671 0.98 MEN1 (0.45) MEN1KMT2AKCNH2HCRTR2HTR2A
Hydrochloric Acid SCHEMBL28593668 0.98 MEN1 (0.45) MEN1KMT2AKCNH2HCRTR2HTR2A
SCHEMBL1765144 0.95 MEN1 (0.42) MEN1KMT2AKCNH2HCRTR2HTR2A
SCHEMBL30423645 0.95 MEN1 (0.42) MEN1KMT2AKCNH2HCRTR2HTR2A
SCHEMBL933161 0.86 KDM1A (0.44) MEN1KMT2AKCNH2HCRTR2HTR2A
SCHEMBL22917359 0.86 KDM1A (0.44) MEN1KMT2AKCNH2HCRTR2HTR2A
SCHEMBL932672 0.86 KDM1A (0.44) MEN1KMT2AKCNH2HCRTR2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907247-A Preparation method of pyrrolidine intermediate and pyrrolidine salt compound 上海陶术生物科技有限公司 2022-08-16 CN disclosed
WO-2020190119-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT 주식회사 보로노이 2020-09-24 WO disclosed
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 US disclosed
US-20180346451-A1 TRK INHIBITION NANTBIO, INC. 2018-12-06 US disclosed
EP-3107900-B1 5-BENZYLISOQUINOLEINE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SERVIER LAB (FR) 2017-11-15 EP disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 US disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 US disclosed
WO-2015124877-A1 DERIVATIVES OF 5-BENZYLISOQUINOLINE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES LES LABORATOIRES SERVIER (FR) 2015-08-27 WO disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO 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 (4 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-20180346451-A1 TRK INHIBITION NGFR, NGF, NTRK1 MEN1 4823/4885KMT2A 4532/4885KCNH2 3972/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 MEN1 2319/4885KMT2A 1882/4885KCNH2 157/4885
US-10738033-B2 Trk inhibition NGF, NGFR, NTRK2 MEN1 4849/4885KMT2A 4409/4885KCNH2 3909/4885
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLK, MYLK2, MYLK3 MEN1 2993/4885KMT2A 3722/4885KCNH2 3203/4885

“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.