SCHEMBL5080838

SCHEMBL5080838

O=C(NNc1ccc(C(F)(F)F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.57
CNR2 P34972 7/20 0.57

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 SCHEMBL6334805 0.99 CNR1 (0.56) CNR1CNR2
SCHEMBL5807814 0.90 CNR1 (0.55) CNR1CNR2
SCHEMBL5808948 0.88 CNR1 (0.55) CNR1CNR2
SCHEMBL5811070 0.86 CNR1 (0.53) CNR1CNR2
SCHEMBL5810967 0.85 CNR1 (0.56) CNR1CNR2
SCHEMBL5806283 0.84 CNR1 (0.55) CNR1CNR2
SCHEMBL6333578 0.83 CNR1 (0.55) CNR1CNR2
SCHEMBL27609771 0.82 CNR1 (0.57) CNR1CNR2
SCHEMBL4436286 0.81 PTGS2 (0.54) CNR1CNR2
SCHEMBL5811601 0.81 CNR1 (0.60) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006060190-A2 IMIDAZOLE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-08 WO claimed
WO-2006060203-A2 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DEMENTIA AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-08 WO claimed
WO-2006060199-A2 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-08 WO claimed
WO-2006060202-A2 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-08 WO claimed
WO-2005099705-A2 PREPARATION OF IMIDAZOLE DERIVATIVES AND METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-27 WO claimed
EP-1432691-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP claimed
US-20040063691-A1 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-04-01 US claimed
WO-2003040107-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 WO claimed
US-20080044353-A1 Combination Therapy for Weight Management NEUROGEN CORPORATION 2008-02-21 US disclosed
EP-1729762-A4 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORP (US) 2007-12-19 EP disclosed
US-20070249616-A1 Substituted 1-Benzyl-4-Substituted Piperazine Analogues NEUROGEN CORPORATION (US) 2007-10-25 US disclosed
US-7253168-B2 Substituted 1-benzyl-4-substituted piperazine analogues NEUROGEN CORPORATION (US) 2007-08-07 US disclosed
EP-1809626-A2 ARYL SUBSTITUTED 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS LIGANDS OF THE MELANIN CONCENTRATING HORMONE RECEPTOR Neurogen Corporation (US) 2007-07-25 EP disclosed
EP-1756107-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2007-02-28 EP disclosed
WO-2006009789-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2006-01-26 WO disclosed
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 US disclosed
WO-2005110982-A2 SUBSTITUTED 1-BENZYL-4-SUBSTITUTED PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2005-11-24 WO disclosed
WO-2005110989-A1 SUBSTITUTED 1-HETEROARYL-4-SUBSTITUTED PIPERAZINE AND PIPERIDINE ANALOGUES NEUROGEN CORPORATION (US) 2005-11-24 WO disclosed
US-20050239791-A1 Substituted 1-heteroaryl-4-substituted piperazine and piperidine analogues NEUROGEN CORPORATION 2005-10-27 US disclosed
WO-2005094305-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2005-10-13 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 (5 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-20080044353-A1 Combination Therapy for Weight Management CNR1, CNR2, MCHR1 CNR1 1/4885CNR2 2/4885
US-20050239791-A1 Substituted 1-heteroaryl-4-substituted piperazine and piperidine analogues MCHR1, MCHR2, PRLHR CNR1 103/4885CNR2 168/4885
US-20070249616-A1 Substituted 1-Benzyl-4-Substituted Piperazine Analogues MCHR1, MCHR2, PRLHR CNR1 88/4885CNR2 163/4885
US-20040063691-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC CNR1 405/4885CNR2 340/4885
US-20060009456-A1 Aryl-substituted piperazine derivatives MCHR1, MCHR2, PRLHR CNR1 104/4885CNR2 143/4885

“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.