SCHEMBL1344173

SCHEMBL1344173

CN(Cc1ccc(C(=O)N2CCCCc3ccccc32)cc1)C(=O)N1CC(=O)N(CC(=O)OC(C)(C)C)c2cccc(Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.44
AVPR1A P37288 9/20 0.44
OXTR P30559 4/20 0.43
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1346057 0.91 AVPR2 (0.45) AVPR2AVPR1AOXTRALDH1A1TSHR
SCHEMBL1345835 0.90 AVPR2 (0.48) AVPR2AVPR1AOXTRLMNA
SCHEMBL1346629 0.86 AVPR2 (0.45) AVPR2AVPR1AOXTRALDH1A1TSHR
SCHEMBL1344237 0.81 AVPR2 (0.48) AVPR2AVPR1AOXTR
SCHEMBL1344169 0.80 AVPR2 (0.64) AVPR2
SCHEMBL1346049 0.79 AVPR2 (0.44) AVPR2AVPR1AOXTR
SCHEMBL1344366 0.78 AVPR2 (0.47) AVPR2AVPR1AOXTRALDH1A1TSHR
SCHEMBL1346124 0.75 AVPR2 (0.48) AVPR2AVPR1AOXTR
SCHEMBL1346053 0.72 AVPR2 (0.64) AVPR2
SCHEMBL1345832 0.69 AVPR2 (0.60) AVPR2

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 3 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 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 1/4885AVPR1A 2/4885OXTR 8/4885

“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.