SCHEMBL23710224

SCHEMBL23710224

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)N(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 4/20 0.47
▸ OPRM1 P35372 3/20 0.47
▸ DPP3 Q9NY33 3/20 0.46
▸ CCKAR P32238 1/20 0.45
▸ TACR1 P25103 3/20 0.45
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ CXCL8 P10145 2/20 0.44
▸ KISS1R Q969F8 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
SCHEMBL23700326 0.95 CCKBR (0.52) CCKBROPRM1DPP3CCKARTACR1
SCHEMBL23700333 0.95 CCKBR (0.52) CCKBROPRM1DPP3CCKARTACR1
SCHEMBL23700330 0.95 CCKBR (0.52) CCKBROPRM1DPP3CCKARTACR1
SCHEMBL23710310 0.90 OPRM1 (0.48) CCKBROPRM1DPP3CCKAROPRD1
SCHEMBL23710298 0.90 OPRM1 (0.50) CCKBROPRM1DPP3CCKAROPRD1
SCHEMBL23710104 0.89 OPRM1 (0.47) CCKBROPRM1DPP3CCKARTACR1
SCHEMBL23710097 0.89 OPRM1 (0.47) CCKBROPRM1DPP3CCKARTACR1
SCHEMBL23710218 0.89 OPRM1 (0.47) CCKBROPRM1DPP3CCKARTACR1
SCHEMBL23710215 0.88 CCKBR (0.47) CCKBROPRM1CCKARTACR1CXCL8
SCHEMBL23710213 0.87 OPRM1 (0.58) CCKBROPRM1DPP3CCKARTACR1

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 CCKBR 4137/4885OPRM1 3964/4885DPP3 116/4885

“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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