SCHEMBL1346540

SCHEMBL1346540

Cc1cc(C(=O)N2Cc3ccnn3Cc3ccccc32)ccc1CNC(=O)N1CC(=O)N(C)c2cccc(F)c21

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.47
OXTR P30559 4/20 0.45
AVPR1A P37288 5/20 0.43

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
SCHEMBL2940663 0.89 AVPR2 (0.44) AVPR2OXTRAVPR1A
SCHEMBL1344819 0.88 AVPR2 (0.60) AVPR2OXTRAVPR1A
SCHEMBL1346201 0.80 AVPR2 (0.57) AVPR2OXTRAVPR1A
SCHEMBL1345768 0.79 AVPR2 (0.55) AVPR2OXTRAVPR1A
SCHEMBL1346750 0.78 AVPR2 (0.56) AVPR2OXTRAVPR1A
SCHEMBL1346294 0.78 AVPR2 (0.56) AVPR2OXTRAVPR1A
SCHEMBL12130606 0.78 AVPR2 (0.46) AVPR2OXTRAVPR1A
SCHEMBL2934738 0.78 AVPR2 (0.54) AVPR2OXTRAVPR1A
SCHEMBL2930335 0.77 AVPR2 (0.59) AVPR2OXTRAVPR1A
SCHEMBL2933598 0.76 AVPR2 (0.44) AVPR2OXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063038-B2 vasopressin V2 receptor agonists for treating nocturnal enuresis, nocturia, diabetes insipidus, urinary incontinence and bleeding disorders; {1-[4-(5H,11H-Benzo[e]pyrrolo[1,2- alpha ][1,4]diazepine-10-carbonyl)-2-methylbenzylcarbamoyl]-8-fluoro-1,2,3,4-tetrahydroquinolin-4-yl}acetic acid ethyl ester VANTIA LIMITED (GB) 2011-11-22 US claimed
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP claimed
US-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents FERRING B.V. 2008-09-25 US claimed
EP-1627876-A1 Heterocyclic condensed compounds useful as antidiuretic agents FERRING B.V. (NL) 2006-02-22 EP claimed
US-8063038-B2 vasopressin V2 receptor agonists for treating nocturnal enuresis, nocturia, diabetes insipidus, urinary incontinence and bleeding disorders; {1-[4-(5H,11H-Benzo[e]pyrrolo[1,2- alpha ][1,4]diazepine-10-carbonyl)-2-methylbenzylcarbamoyl]-8-fluoro-1,2,3,4-tetrahydroquinolin-4-yl}acetic acid ethyl ester VANTIA LIMITED (GB) 2011-11-22 US disclosed
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP disclosed
US-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents FERRING B.V. 2008-09-25 US disclosed
EP-1627876-A1 Heterocyclic condensed compounds useful as antidiuretic agents FERRING B.V. (NL) 2006-02-22 EP 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 (1 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-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents AVPR2, AVPR1A, AVPR1B AVPR2 1/4885OXTR 8/4885AVPR1A 2/4885

“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.