SCHEMBL17190037

SCHEMBL17190037

CN[C@@H](Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.47
▸ OPRM1 P35372 6/20 0.47
▸ CTSL P07711 1/20 0.46
▸ MME P08473 3/20 0.44
▸ ACE P12821 2/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ OPRK1 P41145 3/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ FOLH1 Q04609 1/20 0.42
▸ NAALAD2 Q9Y3Q0 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42

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
SCHEMBL11514704 0.89 OPRD1 (0.47) OPRD1OPRM1CTSLMMEACE
SCHEMBL10756316 0.88 TSHR (0.46) OPRD1OPRM1CTSLMMEACE
SCHEMBL10758438 0.86 OPRD1 (0.56) OPRD1OPRM1MMEACECPA1
SCHEMBL10756817 0.86 OPRD1 (0.56) OPRD1OPRM1MMEACECPA1
SCHEMBL30578441 0.84 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL29440279 0.81 OPRD1 (0.54) OPRD1OPRM1CTSLOPRK1CTSS
SCHEMBL9724062 0.80 GRIA1 (0.59) OPRD1OPRM1CTSLACECPA1
SCHEMBL21415384 0.80 GRIA1 (0.46) OPRD1OPRM1CTSLOPRK1CTSS
SCHEMBL16217709 0.80 GRIA1 (0.46) OPRD1OPRM1CTSLOPRK1CTSS
SCHEMBL16656679 0.80 GRIA1 (0.46) OPRD1OPRM1CTSLOPRK1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969773-B2 Polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2018-05-15 — — US disclosed
US-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME NEW YORK UNIVERSITY 2015-10-22 — — 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-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME PAICS, F12, CYP2C19 OPRD1 803/4885OPRM1 1158/4885CTSL 2941/4885

“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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