SCHEMBL695738

SCHEMBL695738

[CH2]Cc1ccc(-n2cc(C)c(C)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CNR1 P21554 3/20 0.33
GPR35 Q9HC97 1/20 0.33
GRM4 Q14833 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NOTUM Q6P988 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16202084 0.84 NPC1 (0.44) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL19443357 0.82 CYP1A2 (0.42) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL16202083 0.79 CNR1 (0.47) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL6098497 0.78 GRM4 (0.44) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL24185328 0.76 PTGS2 (0.44) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL16202074 0.76 CNR1 (0.47) NPC1RAB9AALDH1A1MAPTCNR1
SCHEMBL2611844 0.76 NPC1 (0.44) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL5341410 0.75 RAB9A (0.50) NPC1RAB9AALDH1A1LMNAMAPT
Ammonia Solution, Strong SCHEMBL28029770 0.73 RAB9A (0.49) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL16202085 0.72 NOTUM (0.47) NPC1RAB9AALDH1A1LMNAMAPT

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-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 US claimed
EP-2421860-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8697683-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-04-15 US disclosed
US-20130217669-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-08-22 US disclosed
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 US disclosed
EP-2421860-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124082-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-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885ALDH1A1 364/4885
US-20130217669-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885ALDH1A1 364/4885

“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.