SCHEMBL277784

SCHEMBL277784

Cc1c(C(=O)O)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.62
PTGS2 P35354 3/20 0.60
CYP1A2 P05177 1/20 0.53
HIF1A Q16665 1/20 0.53
CNR2 P34972 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
PPP1CA P62136 1/20 0.51
PTGS1 P23219 2/20 0.50
RPA1 P27694 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50

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
Hydrochloric Acid SCHEMBL278149 0.99 CNR1 (0.61) CNR1PTGS2CYP1A2HIF1ACNR2
SCHEMBL16197705 0.94 CNR1 (0.57) CNR1PTGS2CYP1A2HIF1ACNR2
SCHEMBL29838955 0.94 CYP1A2 (0.57) CNR1PTGS2CYP1A2HIF1ACNR2
SCHEMBL277080 0.90 CNR1 (0.54) CNR1PTGS2CYP1A2HIF1ACNR2
SCHEMBL4885515 0.90 RPA1 (0.57) CNR1PTGS2CNR2RPA1
SCHEMBL6341478 0.89 PTGS2 (0.79) CNR1PTGS2PTGS1CA1CA2
SCHEMBL278148 0.88 CNR1 (0.62) CNR1PTGS2CNR2PTGS1
SCHEMBL276776 0.87 CNR1 (0.57) CNR1PTGS2PTGS1CA1CA2
SCHEMBL276779 0.85 CNR1 (0.49) CNR1PTGS2CYP1A2HIF1ACNR2
SCHEMBL277227 0.83 CNR1 (0.48) CNR1PTGS2CNR2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133904-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-13 US disclosed
EP-2182807-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY Jenrin Discovery (US) 2010-05-12 EP disclosed
WO-2009033125-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 WO disclosed
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 US disclosed
US-20080200527-A1 Cannabinoid Receptor Modulators CAREX SA (FR) 2008-08-21 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 (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-20080200527-A1 Cannabinoid Receptor Modulators CNR1, CNR2, HCRTR2 CNR1 1/4885PTGS2 2767/4885CYP1A2 1319/4885
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 CNR1 2/4885PTGS2 1821/4885CYP1A2 983/4885

“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.