SCHEMBL1432048

SCHEMBL1432048

O=C(NCc1ccc(Br)cc1)c1nn(-c2ccc(Cl)cc2)c2c1C1CCC2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.47
CNR1 P21554 5/20 0.46
CNR2 P34972 2/20 0.46
HDAC1 Q13547 2/20 0.46
GAA P10253 2/20 0.41
SMPD1 P17405 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL1432154 0.95 ABCB1 (0.51) ABCB1CNR1CNR2HDAC1GAA
SCHEMBL1431949 0.90 CNR1 (0.47) ABCB1CNR1CNR2HDAC1MAPT
SCHEMBL1431471 0.90 ABCB1 (0.53) ABCB1CNR1CNR2HDAC1
SCHEMBL1431457 0.90 HDAC1 (0.43) ABCB1CNR1CNR2HDAC1ALDH1A1
SCHEMBL1431719 0.88 CNR1 (0.48) ABCB1CNR1CNR2HDAC1
SCHEMBL1431884 0.85 ABCB1 (0.42) ABCB1CNR1CNR2GAAKMT2A
SCHEMBL1432199 0.82 CNR1 (0.45) CNR1CNR2
SCHEMBL1431492 0.82 TP53 (0.47) ABCB1CNR1CNR2GAAALDH1A1
SCHEMBL1432001 0.82 CNR1 (0.60) CNR1CNR2
SCHEMBL1431342 0.82 ADORA2A (0.48) ABCB1CNR1CNR2HDAC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US claimed
EP-1902034-B1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2011-03-30 EP claimed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US claimed
EP-1902034-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION Glenmark Pharmaceuticals S.A. (CH) 2008-03-26 EP claimed
WO-2006129178-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2006-12-07 WO claimed
US-8420689-B2 Cannabinoid receptor ligands, pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2013-04-16 US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 US disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US disclosed
EP-1902034-B1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2011-03-30 EP disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US disclosed
EP-1902034-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION Glenmark Pharmaceuticals S.A. (CH) 2008-03-26 EP disclosed
WO-2006129178-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2006-12-07 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-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION CNR1, CNR2, GPR18 ABCB1 2464/4885CNR1 1/4885CNR2 2/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 ABCB1 3426/4885CNR1 2/4885CNR2 1/4885

“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.