SCHEMBL29580537

SCHEMBL29580537

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 8/20 0.63
▸ CXCR4 P61073 3/20 0.57
▸ C5AR1 P21730 1/20 0.57
▸ IL23R Q5VWK5 1/20 0.57
▸ GLP1R P43220 2/20 0.57
▸ OPRD1 P41143 1/20 0.56
▸ CALCA P06881 1/20 0.56

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
SCHEMBL29580972 1.00 KISS1R (0.63) KISS1RCXCR4C5AR1IL23RGLP1R
SCHEMBL29581575 0.94 MC4R (0.60) KISS1RC5AR1IL23RGLP1R
SCHEMBL29580601 0.93 CALCRL (0.57) —
SCHEMBL29581453 0.93 CALCRL (0.57) —
SCHEMBL1371681 0.88 MC4R (0.52) KISS1RC5AR1IL23RGLP1R
SCHEMBL31182780 0.88 C5AR1 (0.66) CXCR4C5AR1GLP1R
SCHEMBL30432147 0.86 C5AR1 (0.63) CXCR4C5AR1GLP1RCALCA
SCHEMBL31488939 0.86 KISS1R (0.63) KISS1RCXCR4C5AR1IL23R
SCHEMBL31622295 0.86 CXCR4 (0.64) CXCR4C5AR1GLP1RCALCA
SCHEMBL30607440 0.86 NPY1R (0.65) KISS1RCXCR4C5AR1

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-12440570-B2 Conjugation of MCR1 ligand with cytotoxic drugs for treating skin cancer ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2025-10-14 — — US disclosed
US-20220143196-A1 CONJUGATION OF MCR1 LIGAND WITH CYTOTOXIC DRUGS FOR TREATING SKIN CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-12 — — 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 (2 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-20220143196-A1 CONJUGATION OF MCR1 LIGAND WITH CYTOTOXIC DRUGS FOR TREATING SKIN CANCER MC1R, MC3R, MCHR1 KISS1R 100/4885CXCR4 501/4885C5AR1 15/4885
US-12440570-B2 Conjugation of MCR1 ligand with cytotoxic drugs for treating skin cancer MC1R, MC3R, MCHR1 KISS1R 100/4885CXCR4 501/4885C5AR1 15/4885

“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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