SCHEMBL31599476

SCHEMBL31599476

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.54
▸ OPRM1 P35372 2/20 0.50
▸ TACR2 P21452 2/20 0.49
▸ DPP3 Q9NY33 3/20 0.49
▸ TACR1 P25103 2/20 0.49
▸ GHSR Q92847 1/20 0.48
▸ CCKBR P32239 2/20 0.48

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
SCHEMBL23700467 0.96 DPP3 (0.52) KISS1ROPRM1DPP3TACR1CCKBR
SCHEMBL23700466 0.96 DPP3 (0.52) KISS1ROPRM1DPP3TACR1CCKBR
SCHEMBL23710034 0.94 KISS1R (0.50) KISS1ROPRM1TACR2DPP3TACR1
SCHEMBL30466184 0.94 KISS1R (0.50) KISS1ROPRM1TACR2DPP3TACR1
SCHEMBL23710110 0.94 KISS1R (0.50) KISS1ROPRM1TACR2DPP3TACR1
SCHEMBL23700403 0.93 KISS1R (0.51) KISS1ROPRM1DPP3TACR1CCKBR
SCHEMBL23700406 0.93 KISS1R (0.51) KISS1ROPRM1DPP3TACR1CCKBR
SCHEMBL23700273 0.90 DPP3 (0.53) KISS1ROPRM1DPP3TACR1CCKBR
SCHEMBL23700272 0.90 DPP3 (0.53) KISS1ROPRM1DPP3TACR1CCKBR
SCHEMBL23710114 0.90 KISS1R (0.47) KISS1ROPRM1TACR2DPP3TACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296955-A1 PIN1 TARGETING COMPOUNDS AND DEGRADERS AND METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-09-25 — — US disclosed
WO-2025111511-A2 REVERSIBLY REACTIVE AFFINITY SELECTION MASS SPECTROMETRY AND USES THEREOF CALICO LIFE SCIENCES LLC (US) 2025-05-30 — — WO 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-20250296955-A1 PIN1 TARGETING COMPOUNDS AND DEGRADERS AND METHODS THEREOF PIN1, MDM2, XIAP KISS1R 4247/4885OPRM1 4678/4885TACR2 4621/4885

“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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