SCHEMBL2720172

SCHEMBL2720172

O=C(O)N1CC(c2ccncc2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 6/20 0.49
SCD O00767 5/20 0.49
HSD11B1 P28845 2/20 0.46
SPR P35270 1/20 0.44
GAA P10253 1/20 0.42
RECQL P46063 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
NPC1 O15118 1/20 0.41
CHRNA7 P36544 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2807714 0.86 HSD11B1 (0.58) SCD5SCDHSD11B1SPRNPC1
SCHEMBL30327048 0.83 GAA (0.45) SCD5SCDHSD11B1SPRGAA
SCHEMBL31703460 0.82 RAB9A (0.51) SCD5SCDNPC1ALDH1A1MAPT
SCHEMBL1856770 0.81 LMNA (0.55) SCD5SCDHSD11B1SPRRECQL
SCHEMBL23924178 0.79 CYP11B2 (0.54) SCD5SCDHSD11B1SPRLMNA
SCHEMBL23148291 0.78 USP30 (0.47)
SCHEMBL3719998 0.78 HDAC4 (0.40) SCD5SCDHSD11B1SPRNPC1
SCHEMBL23091827 0.78 HDAC1 (0.46) NPC1KDM4EALDH1A1MAPT
SCHEMBL23453444 0.77 SMN1; SMN2 (0.49) HSD11B1NPC1LMNAALDH1A1MAPT
SCHEMBL22804482 0.77 BRD4 (0.46) GAANPC1LMNAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431420-B Diheteroaryl compounds and uses thereof 豪夫迈·罗氏有限公司 2019-08-13 CN disclosed
CN-110003178-A Two heteroaryl compounds and application thereof 豪夫迈·罗氏有限公司 2019-07-12 CN disclosed
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US disclosed
EP-2629851-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2013-08-28 EP disclosed
US-8513423-B2 Piperidin-4-yl-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-04-25 US disclosed
WO-2012054716-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV. (BE) 2012-04-26 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-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL SCD5 455/4885SCD 133/4885HSD11B1 1312/4885
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL SCD5 519/4885SCD 174/4885HSD11B1 1833/4885

“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.