SCHEMBL5015689

SCHEMBL5015689

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
SSTR5 P35346 6/20 0.37
FAAH O00519 1/20 0.36
MAPK10 P53779 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KIF11 P52732 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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 0.95 FAAH (0.39) KMT2AMEN1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5012223 0.93 TRPV1 (0.41) SMN1; SMN2MAPTRAB9ANPC1FAAH
SCHEMBL5014417 0.93 TRPV1 (0.41) SMN1; SMN2MAPTRAB9ANPC1FAAH
SCHEMBL5014386 0.92 KMT2A (0.39) KMT2AMEN1MAPTFAAHMAPK10
SCHEMBL5014416 0.92 TRPM8 (0.42) KMT2AMEN1SMN1; SMN2RAB9AFAAH
SCHEMBL5012959 0.92 KMT2A (0.39) KMT2AMEN1MAPTFAAHMAPK10
SCHEMBL5012848 0.91 FAAH (0.42) KMT2AMAPTXBP1FAAHKDM4E
SCHEMBL5012693 0.91 FAAH (0.36) KMT2AMEN1SMN1; SMN2MAPTRAB9A
SCHEMBL5014559 0.91 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL16175670 0.91 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MAPTRAB9ANPC1

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