SCHEMBL23710100

SCHEMBL23710100

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.61
▸ OPRD1 P41143 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ CCKBR P32239 2/20 0.55
▸ KISS1R Q969F8 3/20 0.54

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
SCHEMBL23710195 1.00 OPRM1 (0.61) OPRM1OPRD1OPRK1CCKBRKISS1R
SCHEMBL23710214 0.96 OPRM1 (0.58) OPRM1OPRD1OPRK1CCKBRKISS1R
SCHEMBL23710213 0.96 OPRM1 (0.58) OPRM1OPRD1OPRK1CCKBRKISS1R
SCHEMBL23710193 0.95 OPRM1 (0.56) OPRM1OPRD1OPRK1CCKBRKISS1R
SCHEMBL23700274 0.93 OPRM1 (0.65) OPRM1OPRD1OPRK1CCKBRKISS1R
SCHEMBL23700278 0.93 OPRM1 (0.65) OPRM1OPRD1OPRK1CCKBRKISS1R
SCHEMBL23700276 0.93 OPRM1 (0.65) OPRM1OPRD1OPRK1CCKBRKISS1R
SCHEMBL23710184 0.93 OPRM1 (0.53) OPRM1OPRD1OPRK1CCKBRKISS1R
SCHEMBL23710221 0.92 OPRM1 (0.52) OPRM1OPRD1OPRK1CCKBRKISS1R
SCHEMBL23710182 0.92 OPRM1 (0.52) OPRM1OPRD1OPRK1CCKBRKISS1R

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 3964/4885OPRD1 4420/4885OPRK1 4201/4885

“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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