SCHEMBL2874753

SCHEMBL2874753

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)c1CC

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.66
CNR2 P34972 4/20 0.66
KCNH2 Q12809 1/20 0.59
GABRA2 P47869 1/20 0.59
GABRB2 P47870 1/20 0.59

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
SCHEMBL3997267 0.94 CNR1 (0.59) CNR1CNR2KCNH2GABRA2GABRB2
SCHEMBL2865960 0.94 CNR1 (0.61) CNR1CNR2GABRA2GABRB2
SCHEMBL12053889 0.93 CNR1 (0.62) CNR1CNR2KCNH2GABRA2GABRB2
SCHEMBL4000643 0.93 GABRA2 (0.58) CNR1CNR2KCNH2GABRA2GABRB2
SCHEMBL13672836 0.91 CNR1 (0.57) CNR1CNR2KCNH2GABRA2GABRB2
SCHEMBL30961554 0.90 CNR1 (0.68) CNR1CNR2GABRA2GABRB2
SCHEMBL2627954 0.90 CNR1 (0.68) CNR1CNR2GABRA2GABRB2
SCHEMBL2873286 0.90 CNR1 (0.70) CNR1CNR2KCNH2
Hydrochloric Acid SCHEMBL6543063 0.89 CNR1 (0.69) CNR1CNR2KCNH2
SCHEMBL4632916 0.88 CNR1 (0.59) CNR1CNR2GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354442-B2 Imidazol-4-one and imidazole-4-thione compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-01-15 US disclosed
WO-2010062686-A2 IMIDAZOL-4-ONE AND IMIDAZOLE-4-THIONE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-06-03 WO disclosed
US-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-06 US disclosed
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-02-26 US disclosed
US-6645985-B2 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them, and method of treating SANOFI (FR) 2003-11-11 US disclosed
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2002-12-12 US disclosed
US-6432984-B1 CANNABINOID RECEPTOR ANTAGONISTS; TREATMENT OF OBESITY, DRUG ADDICTION, ALCHOLISM, PSYCHOLOGICAL, AND EATING DISORDERS SANOFI-SYNTHELABO (FR) 2002-08-13 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 (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-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885KCNH2 3711/4885
US-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds CNR1, CNR2, HRH4 CNR1 1/4885CNR2 2/4885KCNH2 1361/4885
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885KCNH2 3711/4885

“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.