SCHEMBL2533103

SCHEMBL2533103

N#Cc1ccc(C(F)(F)F)cc1N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.66
TSHR P16473 2/20 0.66
LMNA P02545 5/20 0.58
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 4/20 0.58
SLC6A9 P48067 1/20 0.53
MAPK1 P28482 1/20 0.50
RAF1 P04049 2/20 0.48
BRAF P15056 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NSD2 O96028 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
HPGD P15428 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
SCHEMBL2480183 0.86 SMN1; SMN2 (0.50) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL2527092 0.85 SMN1; SMN2 (0.50) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL2527437 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL2532291 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL2531352 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL2528462 0.83 MAPT (0.49) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL3919987 0.82 ADRB2 (0.51) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL2531652 0.81 SMN1; SMN2 (0.52) SMN1; SMN2TSHRLMNAKDM4ESLC6A9
SCHEMBL5618165 0.80 MAPK1 (0.54) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL2525286 0.80 CYP3A4 (0.47) SMN1; SMN2TSHRLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858742-B Trpv1 vanilloid receptor antagonists with a bicyclic portion PHARMESTE SRL 2015-05-27 CN disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 US disclosed
CN-103382176-A Novel vanilloid receptor ligands and their use for producing medicaments GRUENENTHAL GMBH 2013-11-06 CN disclosed
CN-101331124-B Novel capsaicin receptor ligands and their use for the manufacture of medicaments GRUENENTHAL GMBH 2013-08-14 CN disclosed
EP-1940821-B1 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-03-20 EP disclosed
EP-1940821-B1 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-03-20 EP disclosed
EP-2388258-A1 Novel vanilloid receptor ligands and their use for producing medicaments Grünenthal GmbH (DE) 2011-11-23 EP disclosed
EP-2388258-A1 Novel vanilloid receptor ligands and their use for producing medicaments Grünenthal GmbH (DE) 2011-11-23 EP disclosed
US-8038010-B1 Single piece edge protector for curved objects ILLINOIS TOOL WORKS INC. (US) 2011-10-18 US disclosed
CN-101331124-A Novel capsaicin receptor ligands and their use for the manufacture of medicaments GRUENENTHAL CHEMIE (DE) 2008-12-24 CN disclosed
EP-1940821-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-07-09 EP disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
WO-2007045462-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2007-04-26 WO disclosed
WO-2007045462-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2007-04-26 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 (2 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-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 SMN1; SMN2 4541/4885TSHR 969/4885LMNA 3586/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 SMN1; SMN2 4541/4885TSHR 969/4885LMNA 3586/4885

“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.