SCHEMBL4198538

SCHEMBL4198538

CO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.81
OXTR P30559 9/20 0.78

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
SCHEMBL6202959 0.93 AVPR2 (0.82) AVPR2OXTR
SCHEMBL6203674 0.93 AVPR2 (0.82) AVPR2OXTR
SCHEMBL6203139 0.92 AVPR2 (0.81) AVPR2OXTR
SCHEMBL6202640 0.92 AVPR2 (0.81) AVPR2OXTR
SCHEMBL5430909 0.88 AVPR2 (0.79) AVPR2OXTR
SCHEMBL6221670 0.88 AVPR2 (0.79) AVPR2OXTR
SCHEMBL4198269 0.88 AVPR2 (0.85) AVPR2OXTR
SCHEMBL1660615 0.87 AVPR2 (1.00) AVPR2OXTR
SCHEMBL6219788 0.87 AVPR2 (1.00) AVPR2OXTR
SCHEMBL4195589 0.80 AVPR2 (1.00) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261951-A1 Condensed azepines as vasopressin agonists ASHWORTH DOREEN MARY 2008-10-23 US claimed
EP-1248784-B1 CONDENSED AZEPINES AS VASOPRESSIN AGONISTS FERRING BV (NL) 2007-07-11 EP claimed
US-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents VANTIA LIMITED (GB) 2004-02-26 US claimed
US-20030087892-A1 Condensed azepines as vasopressin agonists VANTIA LIMITED (GB) 2003-05-08 US claimed
US-7560454-B2 Condensed azepines as vasopressin agonists VANTIA LIMITED (GB) 2009-07-14 US disclosed
US-20080261951-A1 Condensed azepines as vasopressin agonists ASHWORTH DOREEN MARY 2008-10-23 US disclosed
EP-1248784-B1 CONDENSED AZEPINES AS VASOPRESSIN AGONISTS FERRING BV (NL) 2007-07-11 EP disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
US-20060154916-A1 Condensed azepines as vasopressin agonists FERRING BV 2006-07-13 US disclosed
US-7074781-B2 Condensed azepines as vasopressin agonists FERRING BV (NL) 2006-07-11 US disclosed
US-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents VANTIA LIMITED (GB) 2004-02-26 US disclosed
US-20030087892-A1 Condensed azepines as vasopressin agonists VANTIA LIMITED (GB) 2003-05-08 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 (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-20060154916-A1 Condensed azepines as vasopressin agonists AVPR2, AVPR1A, AVPR1B AVPR2 1/4885OXTR 4/4885
US-20080261951-A1 Condensed azepines as vasopressin agonists AVPR2, AVPR1A, AVPR1B AVPR2 1/4885OXTR 4/4885
US-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents AVPR2, AVPR1A, AVPR1B AVPR2 1/4885OXTR 21/4885
US-20030087892-A1 Condensed azepines as vasopressin agonists AVPR2, AVPR1A, AVPR1B AVPR2 1/4885OXTR 4/4885

“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.