SCHEMBL13529192

SCHEMBL13529192

CCCCC(c1ccc(C(=O)O)cc1)N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.48
▸ OPRK1 P41145 6/20 0.48
▸ OPRM1 P35372 6/20 0.48
▸ OPRL1 P41146 5/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ MC4R P32245 8/20 0.46
▸ MC1R Q01726 1/20 0.43

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
SCHEMBL13529191 0.81 LMNA (0.46) OPRD1OPRK1OPRM1OPRL1MC4R
SCHEMBL10900699 0.81 OPRD1 (0.53) OPRD1OPRK1OPRM1OPRL1HRH3
SCHEMBL13529174 0.81 CCR3 (0.55) OPRD1OPRK1MC4R
SCHEMBL11590781 0.74 RARB (0.51) —
SCHEMBL12513620 0.73 MC4R (0.65) OPRD1OPRK1OPRM1OPRL1HRH3
SCHEMBL20425879 0.73 RARB (0.50) —
SCHEMBL860020 0.71 RARB (0.49) —
SCHEMBL10677115 0.70 CHRM2 (0.70) OPRD1OPRK1OPRM1HRH3MC4R
SCHEMBL2237570 0.70 HPGD (0.46) OPRD1HRH3
SCHEMBL22563037 0.70 RARB (0.47) —

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
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 — — 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 (2 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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB OPRD1 4428/4885OPRK1 1864/4885OPRM1 4649/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN OPRD1 4212/4885OPRK1 4042/4885OPRM1 4348/4885

“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.

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