SCHEMBL5015764

SCHEMBL5015764

CC(C)(C)c1ccc(C2=NOC3(CCN(OC(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM8 Q7Z2W7 4/20 0.40
EPHX2 P34913 10/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38
P2RY1 P47900 1/20 0.37
EPHX1 P07099 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
SCHEMBL5012817 0.92 FAAH (0.39) TRPV1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5012950 0.91 KMT2A (0.42) MEN1KMT2ASMN1; SMN2TRPM8EPHX2
SCHEMBL5015780 0.91 KMT2A (0.42) MEN1KMT2ASMN1; SMN2TRPM8EPHX2
SCHEMBL5012223 0.91 TRPV1 (0.41) TRPV1SMN1; SMN2TRPM8EPHX2MAPT
SCHEMBL5014417 0.91 TRPV1 (0.41) TRPV1SMN1; SMN2TRPM8EPHX2MAPT
SCHEMBL5011074 0.90 RAB9A (0.41) TRPV1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL16175718 0.90 TRPM8 (0.42) TRPV1MEN1KMT2ASMN1; SMN2TRPM8
SCHEMBL5012824 0.89 GAA (0.45) TRPV1MEN1KMT2ASMN1; SMN2TRPM8
SCHEMBL5015689 0.89 KMT2A (0.43) MEN1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL5014386 0.88 KMT2A (0.39) TRPV1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed