SCHEMBL5229038

SCHEMBL5229038

COC(=O)CCC(=O)NCc1ccc(C(=O)N2CCCCc3sccc32)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.60
OXTR P30559 9/20 0.60
AVPR1A P37288 6/20 0.48
AVPR1B P47901 5/20 0.48

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
SCHEMBL6645337 0.87 AVPR2 (0.52) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL5232081 0.86 AVPR2 (0.63) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL5236127 0.83 AVPR2 (0.56) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202224 0.80 AVPR1A (0.54) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202959 0.79 AVPR2 (0.82) AVPR2OXTR
SCHEMBL6203674 0.79 AVPR2 (0.82) AVPR2OXTR
Hydrochloric Acid SCHEMBL5232996 0.79 AVPR1A (0.53) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6203139 0.78 AVPR2 (0.81) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202640 0.78 AVPR2 (0.81) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL5228620 0.78 AVPR2 (0.61) AVPR2OXTRAVPR1AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226122-B1 BICYCLIC VASOPRESSIN AGONISTS FERRING BV (NL) 2004-12-15 EP claimed
US-6664249-B1 Such as 1-(4-(N-(4-methoxy-4-oxobutanoyl)aminomethyl)-3-methylbenzoyl)-2, 3,4,5-tetrahydro-1H-1-benzazepine; polyuria FERRING BV (NL) 2003-12-16 US claimed
EP-1294698-B1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING BV (NL) 2007-08-01 EP disclosed
EP-1294698-B1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING BV (NL) 2007-08-01 EP disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
US-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents VANTIA LIMITED (GB) 2004-02-26 US disclosed
US-6664249-B1 Such as 1-(4-(N-(4-methoxy-4-oxobutanoyl)aminomethyl)-3-methylbenzoyl)-2, 3,4,5-tetrahydro-1H-1-benzazepine; polyuria FERRING BV (NL) 2003-12-16 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-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents AVPR2, AVPR1A, AVPR1B AVPR2 1/4885OXTR 21/4885AVPR1A 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.