SCHEMBL2940093

SCHEMBL2940093

CC(C)CCN(CCC(C)C)Cc1ccc(N)c(NCCCN2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.43
HRH3 Q9Y5N1 3/20 0.38
MC4R P32245 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2933001 0.79 MC4R (0.54) MC4R
SCHEMBL27961380 0.72 HRH3 (0.45) BACE1HRH3
SCHEMBL2933683 0.71 ACP1 (0.39) BACE1MC4RSIGMAR1
SCHEMBL17678283 0.71 HRH3 (0.43) BACE1HRH3SIGMAR1
SCHEMBL17527302 0.71 HRH3 (0.43) BACE1HRH3
SCHEMBL13921696 0.70 MC4R (0.65) MC4R
SCHEMBL11713412 0.69 HRH3 (0.56) BACE1HRH3
SCHEMBL2930807 0.68 ACP1 (0.49) HRH3MC4R
SCHEMBL3874659 0.67 HRH3 (0.53) BACE1HRH3
SCHEMBL1779245 0.67 HRH3 (0.46) BACE1HRH3

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
US-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2012-12-13 US disclosed
US-8288395-B2 Pyrimido-benzimidzole derivatives and the use thereof in the form of agonists or antagonists of melanocortin receptors IPSEN PHARMA S.A.S. (FR) 2012-10-16 US disclosed
US-8227485-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2012-07-24 US disclosed
US-20100256135-A1 PYRIMIDO-BENZIMIDZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS IPSEN PHARMA S.A.S. (FR) 2010-10-07 US disclosed
EP-1692114-B1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA (FR) 2010-09-22 EP disclosed
US-7763725-B2 used for treating metabolic, nervous sytsem and skin disorders,inflammatory diseases, obesity, cachexia, erectile dysfunction, neuropathic pain, or as antidepressants, anxiolytic and anticarcinogenic agents IPSEN PHARMA S.A.S. (FR) 2010-07-27 US disclosed
US-20090209531-A1 Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-08-20 US disclosed
EP-1768985-B1 PYRIMIDO-BENZIMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS SOD CONSEILS RECH APPLIC (FR) 2008-01-23 EP disclosed
US-20060281784-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2006-12-14 US disclosed
EP-1692114-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-08-23 EP disclosed
WO-2005056533-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-06-23 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 (4 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-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT MC4R, MC5R, MC1R BACE1 4691/4885HRH3 147/4885MC4R 1/4885
US-20060281784-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament MC4R, MC5R, MC1R BACE1 4548/4885HRH3 149/4885MC4R 1/4885
US-20100256135-A1 PYRIMIDO-BENZIMIDZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS MC4R, MC5R, MC1R BACE1 4122/4885HRH3 302/4885MC4R 1/4885
US-20090209531-A1 Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors MC4R, MC5R, MC1R BACE1 4143/4885HRH3 308/4885MC4R 1/4885

“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.