SCHEMBL2528818

SCHEMBL2528818

CC1CN(c2nc(C(F)(F)F)ccc2C#N)CC(C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
HRH4 Q9H3N8 1/20 0.44
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 1/20 0.42
ALOX12 P18054 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 5/20 0.41
TSHR P16473 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.39
CASP1 P29466 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
SYK P43405 1/20 0.39
HPGD P15428 2/20 0.38
PTGS2 P35354 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL12167463 1.00 KDM4E (0.46) KDM4EHRH4ALDH1A1SMN1; SMN2GAA
SCHEMBL2530381 0.85 HRH4 (0.45) KDM4EHRH4ALDH1A1SMN1; SMN2GAA
SCHEMBL12142204 0.82 HRH4 (0.42) KDM4EHRH4
SCHEMBL15831800 0.81 HRH4 (0.66) KDM4EHRH4ALDH1A1SMN1; SMN2GAA
SCHEMBL2162580 0.80 AR (0.50) KDM4EALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL12143494 0.79 HRH4 (0.41) KDM4EHRH4ALDH1A1SMN1; SMN2
SCHEMBL2524477 0.79 TLR7 (0.49) KDM4EHRH4ALDH1A1SMN1; SMN2GAA
SCHEMBL2525372 0.77 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL4604334 0.77 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL2525426 0.77 HRH4 (0.41) KDM4EHRH4ALDH1A1SMN1; SMN2GAA

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 8 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-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-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
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 KDM4E 4191/4885HRH4 45/4885ALDH1A1 2444/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 KDM4E 4191/4885HRH4 45/4885ALDH1A1 2444/4885

“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.