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Cetrorelix

Cetrorelix

SCHEMBL24040283

CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[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 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Cetrorelix. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GNRHR known ✓ P30968 12/20 0.89
▸ DRD1 P21728 1/20 0.89
▸ OPRM1 P35372 1/20 0.89
▸ MRGPRX2 Q96LB1 1/20 0.89
▸ ABCB11 O95342 1/20 0.88

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
Cetrorelix SCHEMBL61331 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL30883014 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL30742606 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL29887354 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL24040297 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL30882994 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL571416 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL24040296 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL30882997 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL27794687 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11

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 GNRHR 14/4885DRD1 1667/4885OPRM1 463/4885

“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.