SCHEMBL5012284

SCHEMBL5012284

CC(C)(C)c1ccc(C2=NOC3(CCN(OC(=O)Nc4cccc(Cl)c4)CC3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN2B Q13224 1/20 0.41
RAPGEF3 O95398 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.39
POLB P06746 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
APAF1 O14727 2/20 0.39
RECQL P46063 2/20 0.39
PABPC1 P11940 1/20 0.39
GRK2 P25098 1/20 0.39
MCL1 Q07820 1/20 0.39
EIF4H Q15056 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
DNMT1 P26358 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
SCHEMBL5012723 0.91 MAPT (0.44) MAPTCA1CA2MEN1KMT2A
SCHEMBL16175481 0.91 POLB (0.44) MAPTCA1CA2POLBTDP1
SCHEMBL5012844 0.90 KMT2A (0.40) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL5014517 0.90 CA1 (0.42) MAPTSMN1; SMN2CA1CA2MEN1
SCHEMBL5012775 0.90 CA1 (0.41) MAPTTP53CA1CA2KMT2A
SCHEMBL5011200 0.90 CA1 (0.40) MAPTSMN1; SMN2CA1CA2POLB
SCHEMBL16175670 0.89 SMN1; SMN2 (0.41) MAPTSMN1; SMN2KMT2ACNR1POLB
SCHEMBL5014559 0.89 SMN1; SMN2 (0.41) MAPTSMN1; SMN2KMT2ACNR1POLB
SCHEMBL16175545 0.89 CA1 (0.44) MAPTCA1CA2MEN1KMT2A
SCHEMBL5014531 0.89 FAAH (0.41) SMN1; SMN2GRIN2BKMT2APOLBTDP1

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