SCHEMBL5228620

SCHEMBL5228620

O=C(NCc1ccc(C(=O)N2CCCCc3sccc32)cc1Cl)Nc1c(F)cccc1F

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.61
OXTR P30559 8/20 0.53
AVPR1A P37288 2/20 0.50
AVPR1B P47901 2/20 0.50

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
SCHEMBL5232002 0.90 AVPR2 (0.76) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL5236838 0.81 AVPR2 (0.66) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL5233767 0.81 AVPR2 (0.63) AVPR2
SCHEMBL5229038 0.78 AVPR2 (0.60) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL5523742 0.78 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL5228515 0.78 AVPR2 (0.89) AVPR2
SCHEMBL6202224 0.78 AVPR1A (0.54) AVPR2OXTRAVPR1AAVPR1B
Hydrochloric Acid SCHEMBL5236127 0.78 AVPR2 (0.56) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL5233090 0.77 AVPR2 (0.60) AVPR2
Hydrochloric Acid SCHEMBL5232996 0.77 AVPR1A (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294698-B1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING BV (NL) 2007-08-01 EP claimed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US claimed
US-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents VANTIA LIMITED (GB) 2004-02-26 US claimed
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-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents VANTIA LIMITED (GB) 2004-02-26 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.