SCHEMBL6844717

SCHEMBL6844717

Bc1nc2ccc(C(=O)OCC)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.65
RAB9A P51151 9/20 0.65
SMN1; SMN2 Q16637 8/20 0.65
STAT1 P42224 1/20 0.65
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 4/20 0.61
MAPT P10636 3/20 0.61
HPGD P15428 2/20 0.61
ALPL P05186 1/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 3/20 0.56
TP53 P04637 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
USP2 O75604 1/20 0.55
ACP1 P24666 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4667327 0.86 NPC1 (0.68) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL30189826 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL145671 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL21984788 0.84 PIK3CA (0.64) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL19029298 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL8975774 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL1094691 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL73574 0.83 RAB9A (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL9373400 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL14159072 0.81 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1

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
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US 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 (4 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-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885SMN1; SMN2 1895/4885
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885SMN1; SMN2 1895/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885SMN1; SMN2 1895/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885SMN1; SMN2 1895/4885

“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.