SCHEMBL694271

SCHEMBL694271

COc1cccc(-c2nc3c[c]ccc3o2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.64
RAB9A P51151 5/20 0.64
ALDH1A1 P00352 4/20 0.64
HPGD P15428 4/20 0.64
HSD17B10 Q99714 4/20 0.64
NPC1 O15118 4/20 0.64
TP53 P04637 4/20 0.64
KDM4E B2RXH2 4/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
GLA P06280 1/20 0.64
CASP3 P42574 3/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 2/20 0.53
F2 P00734 1/20 0.53
UTRN P46939 1/20 0.53
MAPT P10636 3/20 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
SCHEMBL592290 0.82 ALDH1A1 (0.72) SMN1; SMN2RAB9AALDH1A1HPGDHSD17B10
SCHEMBL12639231 0.80 RAB9A (0.74) SMN1; SMN2RAB9AALDH1A1HPGDHSD17B10
SCHEMBL21180368 0.80 NPC1 (0.60) SMN1; SMN2RAB9AALDH1A1HPGDHSD17B10
SCHEMBL27652505 0.80 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AALDH1A1HPGDNPC1
SCHEMBL6703273 0.80 UTRN (0.47) SMN1; SMN2RAB9AALDH1A1HPGDHSD17B10
SCHEMBL142199 0.78 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AALDH1A1HPGDHSD17B10
SCHEMBL4052772 0.78 NPC1 (0.69) SMN1; SMN2RAB9AALDH1A1HPGDHSD17B10
SCHEMBL4051577 0.77 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AALDH1A1HPGDHSD17B10
SCHEMBL4054520 0.77 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AALDH1A1HPGDHSD17B10
SCHEMBL6702180 0.76 UTRN (0.50) RAB9AALDH1A1NPC1TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP disclosed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US disclosed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US disclosed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US disclosed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 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 (2 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-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC SMN1; SMN2 4370/4885RAB9A 1968/4885ALDH1A1 662/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC SMN1; SMN2 4370/4885RAB9A 1968/4885ALDH1A1 662/4885

“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.