SCHEMBL2525286

SCHEMBL2525286

N#Cc1ccc(C(F)(F)F)cc1N1CCC(C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
SCN10A Q9Y5Y9 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
AR P10275 6/20 0.42
RXFP1 Q9HBX9 2/20 0.41
TP53 P04637 1/20 0.41
FFAR2 O15552 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A9 P48067 1/20 0.38
CHRM4 P08173 1/20 0.38
FFAR1 O14842 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
SCHEMBL2526160 0.86 AR (0.51) CYP3A4SMN1; SMN2TSHRMAPTMEN1
SCHEMBL2480183 0.84 SMN1; SMN2 (0.50) CYP3A4SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL15831836 0.83 FFAR4 (0.49) CYP3A4SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL5800096 0.83 FFAR2 (0.54) CYP3A4SMN1; SMN2TSHRMAPTMEN1
SCHEMBL2527850 0.83 SMN1; SMN2 (0.46) CYP3A4SMN1; SMN2TSHRMAPTMEN1
SCHEMBL2532291 0.82 SMN1; SMN2 (0.49) CYP3A4SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL2531352 0.82 SMN1; SMN2 (0.49) CYP3A4SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL2527437 0.82 SMN1; SMN2 (0.49) CYP3A4SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL12835674 0.82 SMN1; SMN2 (0.42) CYP3A4SMN1; SMN2TSHRMAPTMEN1
Hydrochloric Acid SCHEMBL1514458 0.81 SMN1; SMN2 (0.41) CYP3A4SMN1; SMN2TSHRMAPTMEN1

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 CYP3A4 975/4885SCN10A 406/4885SMN1; SMN2 4541/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 CYP3A4 975/4885SCN10A 406/4885SMN1; SMN2 4541/4885

“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.