SCHEMBL1364061

SCHEMBL1364061

COc1ccc(N2CC=CC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.55
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
PKM P14618 1/20 0.50
POLB P06746 3/20 0.49
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
NR4A1 P22736 1/20 0.43
APEX1 P27695 1/20 0.43
PTPN7 P35236 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL1360514 0.83 MGLL (0.51) MGLLRAB9ANPC1PKMPOLB
SCHEMBL6392634 0.79 MGLL (0.50) MGLLRAB9ANPC1PKMMAPT
SCHEMBL23676376 0.76 MGLL (0.60) MGLLPKMTDP1LMNAALDH1A1
SCHEMBL4796187 0.76 FAAH (0.50) MGLLRAB9ANPC1POLBHSD17B10
SCHEMBL7849375 0.74 RAB9A (0.61) MGLLRAB9ANPC1PKMPOLB
SCHEMBL7260345 0.72 GSK3A (0.60) POLBKDM4EGSK3AGSK3BMAPT
SCHEMBL7842655 0.71 RAB9A (0.58) MGLLRAB9ANPC1PKMPOLB
SCHEMBL21702652 0.71 VHL (0.40) MGLLRAB9A
SCHEMBL23627343 0.71 ALDH1A1 (0.39) MGLLTDP1MAPTLMNAALDH1A1
SCHEMBL3823955 0.71 NOX4 (0.39) GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208818-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 US disclosed
EP-1841425-A4 PHENYL-SUBSTITUTED PYRROLIDONES IRM LLC A DELWARE LTD LIABILIT (BM) 2009-02-18 EP disclosed
US-20080287516-A1 Phenyl-Substituted Pyrrolidones IRM LLC (BM) 2008-11-20 US disclosed
US-20080287516-A1 Phenyl-Substituted Pyrrolidones IRM LLC (BM) 2008-11-20 US disclosed
US-20080287516-A1 Phenyl-Substituted Pyrrolidones IRM LLC (BM) 2008-11-20 US disclosed
EP-1841425-A2 PHENYL-SUBSTITUTED PYRROLIDONES IRM LLC A Delware Limited Liability Company (BM) 2007-10-10 EP disclosed
WO-2006081554-A2 PHENYL-SUBSTITUTED PYRROLIDONES IRM LLC (BM) 2006-08-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 MGLL 3182/4885RAB9A 2250/4885NPC1 680/4885
US-20120208818-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 MGLL 3345/4885RAB9A 2245/4885NPC1 712/4885
US-20080287516-A1 Phenyl-Substituted Pyrrolidones MALT1, FKBP5, PREP MGLL 3649/4885RAB9A 2502/4885NPC1 1568/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.