SCHEMBL695531

SCHEMBL695531

Clc1ccc(-c2nc3cc[c]cc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
NPC1 O15118 6/20 0.59
HPGD P15428 5/20 0.59
KDM4E B2RXH2 5/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
MAPT P10636 5/20 0.59
TP53 P04637 3/20 0.59
HSD17B10 Q99714 3/20 0.59
GAA P10253 3/20 0.59
APP P05067 1/20 0.59
NFKB1 P19838 1/20 0.59
SNCA P37840 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
MCL1 Q07820 1/20 0.59
PKM P14618 1/20 0.56
CYP3A4 P08684 1/20 0.50

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
SCHEMBL9033788 0.87 NPC1 (0.53) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL29002247 0.85 ALDH1A1 (0.63) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL5885447 0.83 NPC1 (0.62) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL316190 0.82 ALDH1A1 (0.60) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL197619 0.76 RAB9A (0.72) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL8396715 0.76 ALDH1A1 (0.81) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL5542508 0.75 ALDH1A1 (0.37) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL26731643 0.74 MEN1 (1.00) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL5757411 0.74 MEN1 (0.40) ALDH1A1NPC1HPGDKDM4ERAB9A
Hydrochloric Acid SCHEMBL3199369 0.73 MEN1 (0.97) ALDH1A1NPC1HPGDKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8604017-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-10 US disclosed
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN 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-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885NPC1 187/4885HPGD 731/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885NPC1 187/4885HPGD 731/4885

“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.