SCHEMBL23700348

SCHEMBL23700348

CNC(Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(N)=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.58
▸ KISS1R Q969F8 7/20 0.56
▸ OPRM1 P35372 2/20 0.54
▸ CCKBR P32239 2/20 0.53
▸ CCKAR P32238 1/20 0.53
▸ TACR1 P25103 1/20 0.52

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
SCHEMBL23710222 1.00 DPP3 (0.58) DPP3KISS1ROPRM1CCKBRCCKAR
SCHEMBL23700312 0.92 KISS1R (0.55) DPP3KISS1ROPRM1CCKBRCCKAR
SCHEMBL23700310 0.92 KISS1R (0.55) DPP3KISS1ROPRM1CCKBRCCKAR
SCHEMBL23700273 0.89 DPP3 (0.53) DPP3KISS1ROPRM1CCKBRCCKAR
SCHEMBL23700272 0.89 DPP3 (0.53) DPP3KISS1ROPRM1CCKBRCCKAR
SCHEMBL23710245 0.89 DPP3 (0.52) DPP3KISS1ROPRM1CCKBRCCKAR
SCHEMBL23710242 0.89 DPP3 (0.52) DPP3KISS1ROPRM1CCKBRCCKAR
SCHEMBL23700466 0.88 DPP3 (0.52) DPP3KISS1ROPRM1CCKBRCCKAR
SCHEMBL23700467 0.88 DPP3 (0.52) DPP3KISS1ROPRM1CCKBRCCKAR
SCHEMBL23700380 0.87 KISS1R (0.53) DPP3KISS1ROPRM1CCKBRCCKAR

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 DPP3 116/4885KISS1R 4542/4885OPRM1 3964/4885

“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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