SCHEMBL24040282

SCHEMBL24040282

CN[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 13/20 0.49
▸ OPRK1 P41145 12/20 0.49
▸ DRD1 P21728 1/20 0.46
▸ GNRHR P30968 1/20 0.46
▸ MRGPRX2 Q96LB1 1/20 0.46
▸ ABCB11 O95342 1/20 0.45
▸ CAPN1 P07384 2/20 0.44
▸ NMUR2 Q9GZQ4 2/20 0.43
▸ NMUR1 Q9HB89 2/20 0.43
▸ APLNR P35414 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
SCHEMBL30585577 0.94 OPRM1 (0.48) OPRM1OPRK1DRD1GNRHRMRGPRX2
SCHEMBL30440639 0.88 OPRM1 (0.47) OPRM1OPRK1NMUR2NMUR1APLNR
SCHEMBL30440642 0.88 OPRM1 (0.47) OPRM1OPRK1NMUR2NMUR1APLNR
SCHEMBL15892849 0.86 OPRM1 (0.45) OPRM1OPRK1CAPN1NMUR2NMUR1
Acetic Acid SCHEMBL30440885 0.86 OPRM1 (0.48) OPRM1OPRK1ABCB11NMUR2NMUR1
SCHEMBL29619531 0.86 NPY4R (0.58) OPRM1OPRK1DRD1GNRHRMRGPRX2
SCHEMBL29571998 0.84 OPRM1 (0.48) OPRM1OPRK1APLNR
SCHEMBL8019005 0.83 OPRM1 (0.60) OPRM1OPRK1DRD1GNRHRMRGPRX2
SCHEMBL29421084 0.83 OPRM1 (0.52) OPRM1OPRK1NMUR2NMUR1
SCHEMBL29557983 0.83 OPRM1 (0.49) OPRM1OPRK1NMUR2NMUR1

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-11180533-B2 Process for the preparation of Cetrorelix acetate BIOPHORE INDIA PHARMACEUTICALS PRIVATE LIMITED (IN) 2021-11-23 — — 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-11180533-B2 Process for the preparation of Cetrorelix acetate CYP51A1, CYP17A1, CYP11A1 OPRM1 463/4885OPRK1 109/4885DRD1 1667/4885

“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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