SCHEMBL31433248

SCHEMBL31433248

CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.46
▸ KISS1R Q969F8 2/20 0.45
▸ F2 P00734 4/20 0.44
▸ PTH1R Q03431 1/20 0.43
▸ CRHR1 P34998 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42

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
SCHEMBL30683245 0.82 BACE1 (0.45) CALCRF2
SCHEMBL30504295 0.81 CALCR (0.52) CALCRKISS1RF2PTH1RCRHR1
SCHEMBL30262235 0.81 CALCR (0.57) CALCRF2CRHR1CRHR2
SCHEMBL30271074 0.80 F2 (0.43) CALCRF2
SCHEMBL30271070 0.80 F2 (0.43) CALCRF2
SCHEMBL29599778 0.79 CALCR (0.43) CALCRF2
SCHEMBL30136928 0.79 GLP1R (0.47) CALCRF2
SCHEMBL31721844 0.79 OPRM1 (0.53) F2
SCHEMBL9713882 0.78 OPRD1 (0.46) F2
SCHEMBL9713899 0.78 OPRD1 (0.46) F2

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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 — — 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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 CALCR 2817/4885KISS1R 1078/4885F2 2732/4885

“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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