SCHEMBL4706594

SCHEMBL4706594

O=C(c1ccc(-n2ccc(CO)n2)cc1Cl)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.79
AVPR1A P37288 10/20 0.79
OXTR P30559 2/20 0.79

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
SCHEMBL6627050 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL6624436 0.86 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL6624618 0.85 AVPR2 (0.75) AVPR2AVPR1AOXTR
SCHEMBL4706073 0.84 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL6624992 0.83 AVPR2 (0.73) AVPR2AVPR1AOXTR
SCHEMBL6621758 0.83 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL6622333 0.83 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL6625293 0.82 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL4707961 0.81 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL6811363 0.80 AVPR2 (0.67) AVPR2AVPR1AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572694-B1 PYRROLO[2,1-C][1,4] BENZODIAZEPINES AS VASOPRESSIN AGONISTS WYETH CORP (US) 2008-10-08 EP claimed
US-7138393-B2 Biologically active vasopressin agonist metabolites WYETH (US) 2006-11-21 US claimed
EP-1572694-A1 PYRROLO'2,1-C!'1,4! BENZODIAZEPINES AS VASOPRESSIN AGONISTS Wyeth (US) 2005-09-14 EP claimed
WO-2004060894-A1 PYRROLO`2,1-C!`1,4! BENZODIAZEPINES AS VASOPRESSIN AGONISTS WYETH (US) 2004-07-22 WO claimed
US-20030134845-A1 Biologically active vasopressin agonist metabolites WYETH (US) 2003-07-17 US claimed
EP-1572694-B1 PYRROLO[2,1-C][1,4] BENZODIAZEPINES AS VASOPRESSIN AGONISTS WYETH CORP (US) 2008-10-08 EP disclosed
EP-1572694-B1 PYRROLO[2,1-C][1,4] BENZODIAZEPINES AS VASOPRESSIN AGONISTS WYETH CORP (US) 2008-10-08 EP disclosed
US-7138393-B2 Biologically active vasopressin agonist metabolites WYETH (US) 2006-11-21 US disclosed
WO-2004060894-A1 PYRROLO`2,1-C!`1,4! BENZODIAZEPINES AS VASOPRESSIN AGONISTS WYETH (US) 2004-07-22 WO disclosed
US-20030134845-A1 Biologically active vasopressin agonist metabolites WYETH (US) 2003-07-17 US 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-20030134845-A1 Biologically active vasopressin agonist metabolites AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885OXTR 28/4885

“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.