SCHEMBL1344366

SCHEMBL1344366

CN(Cc1ccc(C(=O)N2CCCCc3ccccc32)cc1)C(=O)N1CC(=O)N(CC(=O)O)c2ccc(F)c(F)c21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.47
AVPR1A P37288 10/20 0.47
OXTR P30559 5/20 0.46
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1344237 0.92 AVPR2 (0.48) AVPR2AVPR1AOXTR
SCHEMBL1345835 0.88 AVPR2 (0.48) AVPR2AVPR1AOXTRLMNAMAPT
SCHEMBL1346124 0.86 AVPR2 (0.48) AVPR2AVPR1AOXTR
SCHEMBL1346057 0.82 AVPR2 (0.45) AVPR2AVPR1AOXTRLMNAALDH1A1
SCHEMBL1344364 0.79 AVPR2 (0.59) AVPR2
SCHEMBL1344173 0.78 AVPR2 (0.44) AVPR2AVPR1AOXTRLMNAALDH1A1
SCHEMBL1346629 0.77 AVPR2 (0.45) AVPR2AVPR1AOXTRLMNAALDH1A1
SCHEMBL1346049 0.76 AVPR2 (0.44) AVPR2AVPR1AOXTR
SCHEMBL1344235 0.71 AVPR2 (0.64) AVPR2
SCHEMBL1345945 0.70 AVPR2 (0.58) 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 7 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
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.