SCHEMBL13041584

SCHEMBL13041584

COC(=O)CN1C(=O)C2(CCCN(B(C)O)C2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.57
OPRM1 P35372 1/20 0.57
OPRK1 P41145 1/20 0.57

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
SCHEMBL13041512 0.89 OPRL1 (0.67) OPRL1OPRM1OPRK1
SCHEMBL13041582 0.82 OPRL1 (0.52) OPRL1OPRM1OPRK1
SCHEMBL3738822 0.79 OPRL1 (0.55) OPRL1OPRM1OPRK1
SCHEMBL3731553 0.78 OPRL1 (0.60) OPRL1OPRM1OPRK1
SCHEMBL13041588 0.77 OPRL1 (0.65) OPRL1OPRM1OPRK1
SCHEMBL3731811 0.77 OPRL1 (0.59) OPRL1OPRM1OPRK1
SCHEMBL3731764 0.76 OPRL1 (0.61) OPRL1OPRM1OPRK1
SCHEMBL3178584 0.76 OPRL1 (0.66) OPRL1OPRM1OPRK1
SCHEMBL13480113 0.73 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL13480107 0.73 OPRL1 (1.00) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 OPRL1 233/4885OPRM1 610/4885OPRK1 407/4885

“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.