SCHEMBL1500593

SCHEMBL1500593

N#Cc1cccc(C(Br)c2ccc(Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.47
CNR2 P34972 14/20 0.46

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
SCHEMBL1500561 0.88 GSK3B (0.45) CNR1CNR2
SCHEMBL11615116 0.88 GSK3B (0.50) CNR1CNR2
SCHEMBL30961612 0.86 TSHR (0.48) CNR1CNR2
SCHEMBL7307662 0.86 TSHR (0.48) CNR1CNR2
SCHEMBL1528612 0.80 CNR1 (0.44) CNR1CNR2
SCHEMBL1528610 0.80 CNR1 (0.44) CNR1CNR2
Hydrochloric Acid SCHEMBL1500635 0.79 CNR1 (0.43) CNR1CNR2
Hydrochloric Acid SCHEMBL1500633 0.79 CNR1 (0.43) CNR1CNR2
SCHEMBL6965820 0.77 TRPA1 (0.57) CNR1CNR2
SCHEMBL3882898 0.76 GSK3B (0.50) CNR1CNR2

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-7906503-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
US-7906652-B2 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
CN-101365694-A Heterocycle-substituted 3-alkyl azetidine derivatives MERCK & CO INC (US) 2009-02-11 CN disclosed
US-7485732-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO., INC. (US) 2009-02-03 US disclosed
EP-1960392-A2 HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES Merck & Co., Inc. (US) 2008-08-27 EP disclosed
EP-1954692-A1 HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES Merck and Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007064566-A2 HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES MERCK & CO., INC. (US) 2007-06-07 WO disclosed
WO-2007062193-A1 HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES MERCK & CO., INC. (US) 2007-05-31 WO disclosed
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. 2007-05-31 US disclosed
US-20060293299-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2006-12-28 US disclosed
CN-1802351-A Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO INC (US) 2006-07-12 CN disclosed
EP-1636181-A1 SUBSTITUTED 3-ALKYL AND 3-ALKENYL AZETIDINE DERIVATIVES Merck & Co., Inc. (US) 2006-03-22 EP disclosed
WO-2005000809-A1 SUBSTITUTED 3-ALKYL AND 3-ALKENYL AZETIDINE DERIVATIVES MERCK & CO., INC. (US) 2005-01-06 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 (3 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-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885
US-20060293299-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885

“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.