SCHEMBL5012223

SCHEMBL5012223

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
EPHX2 P34913 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 1/20 0.38
TRPM8 Q7Z2W7 6/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
FAAH O00519 2/20 0.36
MCHR1 Q99705 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5014417 1.00 TRPV1 (0.41) TRPV1EPHX2CNR1CNR2MAPT
SCHEMBL5015806 0.95 TRPM8 (0.40) TRPV1EPHX2TRPM8F2F10
SCHEMBL5012817 0.95 FAAH (0.39) TRPV1CNR2MAPTFAAHNPC1
SCHEMBL5012816 0.93 FPR1 (0.40) TRPV1EPHX2TRPM8F2F10
SCHEMBL5015689 0.93 KMT2A (0.43) MAPTFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL5014416 0.92 TRPM8 (0.42) TRPV1EPHX2TRPM8FAAHRAB9A
SCHEMBL5014386 0.92 KMT2A (0.39) TRPV1MAPTFAAH
SCHEMBL5012959 0.92 KMT2A (0.39) TRPV1MAPTFAAH
SCHEMBL5015764 0.91 TRPV1 (0.46) TRPV1EPHX2MAPTTRPM8SMN1; SMN2
SCHEMBL5014470 0.91 ABCG2 (0.42) MAPTF2F10PRSS1RAB9A

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