SCHEMBL23710310

SCHEMBL23710310

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)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.48
▸ DPP3 Q9NY33 4/20 0.48
▸ CCKAR P32238 1/20 0.46
▸ CCKBR P32239 1/20 0.46
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ CXCL8 P10145 3/20 0.44
▸ CAPN1 P07384 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ KISS1R Q969F8 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
SCHEMBL23700195 0.94 DPP3 (0.50) OPRM1DPP3CCKARCCKBRCXCL8
SCHEMBL23700197 0.94 DPP3 (0.50) OPRM1DPP3CCKARCCKBRCXCL8
SCHEMBL23700199 0.94 DPP3 (0.50) OPRM1DPP3CCKARCCKBRCXCL8
SCHEMBL23710298 0.92 OPRM1 (0.50) OPRM1DPP3CCKARCCKBROPRD1
SCHEMBL23710218 0.91 OPRM1 (0.47) OPRM1DPP3CCKARCCKBROPRD1
SCHEMBL23710097 0.91 OPRM1 (0.47) OPRM1DPP3CCKARCCKBROPRD1
SCHEMBL23710104 0.91 OPRM1 (0.47) OPRM1DPP3CCKARCCKBROPRD1
SCHEMBL23710224 0.90 CCKBR (0.47) OPRM1DPP3CCKARCCKBROPRD1
SCHEMBL23710297 0.89 OPRM1 (0.47) OPRM1DPP3CCKARCCKBROPRD1
SCHEMBL23710213 0.88 OPRM1 (0.58) OPRM1DPP3CCKARCCKBROPRD1

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 3964/4885DPP3 116/4885CCKAR 3815/4885

“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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