SCHEMBL30797894

SCHEMBL30797894

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 6/20 0.56
▸ CXCR4 P61073 3/20 0.56
▸ C5AR1 P21730 1/20 0.55
▸ OPRD1 P41143 1/20 0.55
▸ IL23R Q5VWK5 1/20 0.54
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ OPRK1 P41145 3/20 0.53
▸ MC4R P32245 2/20 0.52
▸ MC5R P33032 2/20 0.52
▸ MC3R P41968 2/20 0.52
▸ MC1R Q01726 2/20 0.52
▸ OPRM1 P35372 2/20 0.51
▸ NPBWR1 P48145 1/20 0.51
▸ CALCA P06881 1/20 0.51

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
SCHEMBL30798075 0.97 KISS1R (0.56) KISS1RCXCR4C5AR1OPRD1IL23R
SCHEMBL30798168 0.95 KISS1R (0.55) KISS1RCXCR4C5AR1OPRD1IL23R
SCHEMBL30797905 0.93 MC4R (0.58) KISS1RCXCR4C5AR1IL23RMC4R
SCHEMBL30798008 0.93 MC4R (0.58) KISS1RCXCR4C5AR1IL23RMC4R
SCHEMBL30173921 0.93 MC4R (0.58) KISS1RCXCR4C5AR1IL23RMC4R
SCHEMBL30797771 0.92 CXCR4 (0.55) KISS1RCXCR4C5AR1OPRD1IL23R
SCHEMBL30797971 0.92 KISS1R (0.55) KISS1RCXCR4C5AR1OPRD1IL23R
SCHEMBL30797902 0.91 CXCR4 (0.58) KISS1RCXCR4C5AR1IL23RNTSR2
SCHEMBL34461103 0.91 CXCR4 (0.66) KISS1RCXCR4C5AR1IL23RNTSR2
SCHEMBL30864786 0.91 C5AR1 (0.59) KISS1RCXCR4C5AR1IL23RNTSR2

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-11896704-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes LUBRIZOL ADVANCED MATERIALS, INC. (US) 2024-02-13 — — US claimed
US-11896704-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes LUBRIZOL ADVANCED MATERIALS, INC. (US) 2024-02-13 — — 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-11896704-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes TYR, MTX1, MTX2 KISS1R 3335/4885CXCR4 4011/4885C5AR1 1612/4885

“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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