SCHEMBL3823488

SCHEMBL3823488

CCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)c1C#N

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.66
KCNH2 Q12809 1/20 0.58
CNR2 P34972 4/20 0.56

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
SCHEMBL2427607 0.91 CNR1 (0.70) CNR1KCNH2CNR2
SCHEMBL4469293 0.86 CNR1 (0.74) CNR1CNR2
SCHEMBL4474441 0.82 CNR1 (0.68) CNR1CNR2
SCHEMBL3827684 0.82 CNR1 (0.70) CNR1CNR2
SCHEMBL4074146 0.82 KDM4E (0.65) CNR1CNR2
SCHEMBL4481055 0.80 CNR1 (0.72) CNR1CNR2
SCHEMBL5345390 0.80 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL4477764 0.78 CNR1 (0.63) CNR1CNR2
SCHEMBL4460301 0.76 CNR1 (0.60) CNR1CNR2
SCHEMBL219061 0.76 KDM4E (0.69) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641763-B1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2009-09-02 EP claimed
US-7521471-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation and application thereof SANOFI-AVENTIS (FR) 2009-04-21 US claimed
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF SANOFI-AVENTIS (FR) 2007-12-20 US claimed
US-20060135776-A1 4-Cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof SANOFI-AVENTIS (FR) 2006-06-22 US claimed
EP-1641763-B1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
US-7521471-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation and application thereof SANOFI-AVENTIS (FR) 2009-04-21 US disclosed
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF SANOFI-AVENTIS (FR) 2007-12-20 US disclosed
US-7282516-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof SANOFI-AVENTIS (FR) 2007-10-16 US disclosed
US-20060135776-A1 4-Cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof SANOFI-AVENTIS (FR) 2006-06-22 US disclosed
EP-1641763-A2 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2006-04-05 EP disclosed
WO-2005000820-A2 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES PREPARATION AND APPLICATION THEREOF AS CB1 CANNABINOID ANTAGONISTS SANOFI-AVENTIS (FR) 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 (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-20060135776-A1 4-Cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof CBR3, CNR1, CNR2 CNR1 2/4885KCNH2 189/4885CNR2 3/4885
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF CBR3, CNR1, CNR2 CNR1 2/4885KCNH2 158/4885CNR2 3/4885

“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.