SCHEMBL23710097

SCHEMBL23710097

COC(=O)CC[C@@H](NC(=O)CCl)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.47
▸ TACR1 P25103 3/20 0.46
▸ CCKBR P32239 2/20 0.46
▸ CCKAR P32238 1/20 0.46
▸ CXCL8 P10145 5/20 0.46
▸ OPRD1 P41143 3/20 0.46
▸ DPP3 Q9NY33 3/20 0.45
▸ PSMB8 P28062 1/20 0.45
▸ PSMB5 P28074 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 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
SCHEMBL23710104 1.00 OPRM1 (0.47) OPRM1TACR1CCKBRCCKARCXCL8
SCHEMBL23710218 1.00 OPRM1 (0.47) OPRM1TACR1CCKBRCCKARCXCL8
SCHEMBL23710332 0.96 OPRM1 (0.46) OPRM1TACR1CCKBRCCKARCXCL8
SCHEMBL23710108 0.96 GAA (0.48) OPRM1TACR1CCKBRCCKARCXCL8
SCHEMBL23710221 0.95 OPRM1 (0.52) OPRM1TACR1CCKBRCXCL8OPRD1
SCHEMBL23710182 0.95 OPRM1 (0.52) OPRM1TACR1CCKBRCXCL8OPRD1
SCHEMBL23700460 0.94 CCKBR (0.51) OPRM1TACR1CCKBRCCKARCXCL8
SCHEMBL23700374 0.94 CCKBR (0.51) OPRM1TACR1CCKBRCCKARCXCL8
SCHEMBL23700377 0.94 CCKBR (0.51) OPRM1TACR1CCKBRCCKARCXCL8
SCHEMBL23700371 0.94 CCKBR (0.51) OPRM1TACR1CCKBRCCKARCXCL8

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-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-08-05 — — 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-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) PIN1, PPIA, PPIE OPRM1 3964/4885TACR1 4179/4885CCKBR 4137/4885

“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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