SCHEMBL2522987

SCHEMBL2522987

N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.46
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
ADORA2A P29274 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
P2RX3 P56373 2/20 0.44
P2RX2 Q9UBL9 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
USP1 O94782 2/20 0.41
WDR48 Q8TAF3 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CTSL P07711 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL2526767 0.86 KDM4E (0.51) FABP4MAPTTP53P2RX3P2RX2
SCHEMBL2529355 0.80 GPR119 (0.46) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL15831814 0.80 KDM4E (0.48) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14797674 0.79 KDM4E (0.43) ADORA2AKDM4EPOLB
SCHEMBL2525140 0.76 CNR1 (0.53) MAPTTDP1KDM4EGPR119TRPV1
SCHEMBL2531933 0.74 POLB (0.48) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL1716065 0.72 NPC1 (0.64) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL31350674 0.72 SLC6A4 (0.37) KDM4EALDH1A1GPR119
SCHEMBL28257132 0.72 KDM4E (0.51) MAPTKDM4EALDH1A1HPGDCTSL
SCHEMBL2532417 0.72 GPR119 (0.43) KDM4EALDH1A1HPGDGPR119CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 FABP4 1638/4885MAPT 4129/4885TP53 4485/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 FABP4 1638/4885MAPT 4129/4885TP53 4485/4885

“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.