SCHEMBL1749865

SCHEMBL1749865

Fc1ccc(C23CCNCC2C3)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.60
SLC6A4 P31645 9/20 0.60
SLC6A3 Q01959 9/20 0.60
KCNH2 Q12809 2/20 0.47
P2RY14 Q15391 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL20820408 1.00 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2P2RY14
SCHEMBL17815802 1.00 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2P2RY14
SCHEMBL30608311 0.83 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2P2RY14
SCHEMBL26938717 0.83 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2P2RY14
SCHEMBL17799000 0.82 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2P2RY14
SCHEMBL3199220 0.82 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2P2RY14
SCHEMBL3208327 0.82 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2P2RY14
SCHEMBL13007712 0.82 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4761203 0.82 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4714734 0.82 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 US disclosed
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 US disclosed
EP-3019478-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-05-18 EP disclosed
WO-2015006280-A9 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-14 WO disclosed
WO-2015006280-A9 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-14 WO disclosed
WO-2015006280-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 WO disclosed
WO-2015006280-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 WO disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 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 (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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 SLC6A2 792/4885SLC6A4 1157/4885SLC6A3 1729/4885
US-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 SLC6A2 1335/4885SLC6A4 691/4885SLC6A3 1160/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 SLC6A2 1335/4885SLC6A4 691/4885SLC6A3 1160/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 SLC6A2 639/4885SLC6A4 876/4885SLC6A3 1305/4885
US-20080114049-A1 CHEMICAL COMPOUNDS SLC6A2, HTR3C, SLC6A3 SLC6A2 1/4885SLC6A4 11/4885SLC6A3 3/4885

“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.