SCHEMBL7299667

SCHEMBL7299667

CCCC[N]C(=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.46
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
EPHX1 P07099 9/20 0.38
SIGMAR1 Q99720 2/20 0.38
CYP1A2 P05177 1/20 0.38
EPHX2 P34913 2/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL7312858 0.94 NAAA (0.49) NAAACES2CES1EPHX1SIGMAR1
SCHEMBL7309106 0.93 NAAA (0.51) NAAAEPHX1SIGMAR1EPHX2CNR2
SCHEMBL1679329 0.90 HTT (0.35) NAAACES2CES1CYP1A2
SCHEMBL7303987 0.88 CES2 (0.41) NAAACES2CES1EPHX1
SCHEMBL8386944 0.86 NAAA (0.38) NAAACES2CES1EPHX1
SCHEMBL1678672 0.84 NAAA (0.37) NAAACES2CES1SIGMAR1CYP1A2
SCHEMBL1678747 0.82 NAAA (0.40) NAAACES2CES1SIGMAR1
SCHEMBL8383242 0.82 NAAA (0.34) NAAACES2CES1EPHX1
SCHEMBL7331382 0.79 CES2 (0.44) NAAACES2CES1EPHX1
SCHEMBL7334716 0.79 CES2 (0.44) NAAACES2CES1EPHX1

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
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 WO disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP 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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B NAAA 1309/4885CES2 3090/4885CES1 2288/4885

“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.