SCHEMBL2938323

SCHEMBL2938323

Cc1cc(C(=O)N2CCCN(CCO)c3ccccc32)ccc1CN

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46

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
Hydrochloric Acid SCHEMBL5235888 0.88 AVPR2 (0.47) AVPR2PDCD1CD274
SCHEMBL2938321 0.86 AVPR2 (0.47) AVPR2
SCHEMBL5234007 0.82 SLC22A12 (0.44) AVPR2PDCD1CD274
SCHEMBL5235552 0.81 AVPR2 (0.44) AVPR2PDCD1CD274
SCHEMBL1346004 0.79 AVPR2 (0.69) AVPR2
Hydrochloric Acid SCHEMBL4195564 0.78 AVPR2 (0.68) AVPR2
SCHEMBL2933193 0.77 AVPR2 (0.59) AVPR2
SCHEMBL5230382 0.77 AVPR2 (0.57) AVPR2PDCD1CD274
Hydrochloric Acid SCHEMBL5270039 0.77 AVPR2 (0.56) AVPR2PDCD1CD274
SCHEMBL5230483 0.75 PDCD1 (0.44) AVPR2PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP 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 1/4885PDCD1 4358/4885CD274 4035/4885

“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.