SCHEMBL315610

SCHEMBL315610

O=c1cc[c]cn1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.44
GSK3B P49841 3/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
MGLL Q99685 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL3274252 0.82 MAPT (0.53) ALDH1A1MAPTHTTPKMP2RX4
SCHEMBL28105294 0.74 POLB (0.54) ALDH1A1MAPK14KDM4E
SCHEMBL1768170 0.72 POLB (0.61) GSK3AGSK3BF2PLGELANE
Hydrochloric Acid SCHEMBL9523272 0.71 KDM4E (0.60) GSK3AGSK3BF2PLGELANE
SCHEMBL1387815 0.68 P2RX4 (0.40) GSK3AGSK3BF2PLGELANE
SCHEMBL8985073 0.68 GSK3B (0.67) GSK3AGSK3BF2PLGELANE
SCHEMBL27772274 0.68 MAPT (0.63) F2PLGELANECTSGCMA1
SCHEMBL316006 0.68 KDM4E (0.47) GSK3AGSK3BF2PLGELANE
SCHEMBL27478800 0.67 F2 (0.54) GSK3AGSK3BF2PLGELANE
SCHEMBL920259 0.67 CYP19A1 (0.46) GSK3AGSK3BF2PLGELANE

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
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 US disclosed
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA GSK3A 4309/4885GSK3B 4308/4885F2 2368/4885
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA GSK3A 4309/4885GSK3B 4308/4885F2 2368/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 GSK3A 4478/4885GSK3B 4378/4885F2 846/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 GSK3A 1446/4885GSK3B 2142/4885F2 315/4885

“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.