SCHEMBL5237261

SCHEMBL5237261

NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.76
AVPR1A P37288 10/20 0.76
OXTR P30559 5/20 0.73
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL5243307 0.86 AVPR2 (0.80) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL7347092 0.86 AVPR2 (1.00) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL7349162 0.86 AVPR1A (0.64) AVPR2AVPR1AOXTR
SCHEMBL7357300 0.85 AVPR2 (0.97) AVPR2AVPR1AOXTRCA1CA2
Hydrochloric Acid SCHEMBL4832640 0.85 MEN1 (0.66) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL9389632 0.83 AVPR2 (1.00) AVPR2AVPR1AOXTRALDH1A1
SCHEMBL2128884 0.83 AVPR2 (0.76) AVPR2AVPR1AOXTRALDH1A1
SCHEMBL18944228 0.82 AVPR2 (0.74) AVPR2AVPR1AOXTRALDH1A1TSHR
Hydrochloric Acid SCHEMBL5236491 0.82 AVPR2 (0.65) AVPR2AVPR1AOXTRALDH1A1TSHR
Hydrochloric Acid SCHEMBL5237037 0.82 ALDH1A1 (0.65) AVPR2AVPR1AOXTRCA1CA2

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
EP-1778677-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS Ferring B.V. (NL) 2007-05-02 EP claimed
WO-2006018443-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2006-02-23 WO 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
EP-1294698-A1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2003-03-26 EP disclosed
WO-2002000626-A1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2002-01-03 WO 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 1/4885AVPR1A 2/4885OXTR 21/4885

“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.