SCHEMBL5012201

SCHEMBL5012201

COc1cccc(C2=NOC3(CCN(OC(=O)Nc4cccc(C(F)(F)F)c4)CC3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
APEX1 P27695 1/20 0.43
GRIN2B Q13224 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
HTT P42858 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FAAH O00519 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL5015755 0.92 F2 (0.46) MAPTLMNAPOLBRECQLTDP1
SCHEMBL5012680 0.92 SMN1; SMN2 (0.44) MAPTLMNAPOLBRECQLTDP1
SCHEMBL5014474 0.91 TDP1 (0.47) MAPTPOLBRECQLTDP1APEX1
SCHEMBL5011313 0.91 MAPT (0.46) MAPTLMNAHTTFAAHTRPV1
SCHEMBL5012996 0.90 L3MBTL1 (0.45) MAPTLMNAPOLBRECQLTDP1
SCHEMBL5014556 0.89 TDP1 (0.45) MAPTPOLBRECQLTDP1APEX1
SCHEMBL5011295 0.89 MAPT (0.44) MAPTLMNARECQLHTTFAAH
SCHEMBL16175499 0.89 TDP1 (0.46) MAPTLMNAPOLBRECQLTDP1
SCHEMBL5124334 0.88 LMNA (0.55) MAPTLMNAPOLBRECQLTDP1
SCHEMBL16175513 0.88 UBE2M (0.42) MAPTLMNAPOLBTDP1UBE2M

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