SCHEMBL4703256

SCHEMBL4703256

CC(C)(C)OC(=O)N1CCC(n2c(=O)n(CCCCl)c3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.52
CACNA1H O95180 2/20 0.52
CYP3A4 P08684 5/20 0.49
CYP2D6 P10635 3/20 0.48
OPRM1 P35372 3/20 0.48
OPRL1 P41146 2/20 0.48
CCR5 P51681 2/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PRKDC P78527 1/20 0.46
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCD Q05655 1/20 0.45
OPRD1 P41143 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL7596262 0.94 OPRM1 (0.49) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL27194852 0.89 CYP3A4 (0.53) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL8063089 0.89 OPRM1 (0.50) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL24709345 0.88 CACNA1G (0.66) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL30849340 0.88 CACNA1G (0.66) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL24709329 0.87 CACNA1G (0.71) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL30849341 0.87 CACNA1G (0.71) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL3098947 0.87 CYP2D6 (0.57) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL27194844 0.86 CACNA1G (0.69) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL30849337 0.86 CACNA1G (0.61) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330451-B1 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2008-01-23 EP disclosed
US-6653478-B2 Psychological disorders; hypotensive agents ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-25 US disclosed
EP-1330451-A2 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-30 EP disclosed
US-20030073842-A1 Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-17 US disclosed
WO-2002055514-A2 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2002-07-18 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-20030073842-A1 Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators AVPR2, NPY1R, AVPR1B CACNA1G 1073/4885CACNA1H 1334/4885CYP3A4 4264/4885

“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.