SCHEMBL30797771

SCHEMBL30797771

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)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(N)=O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 10/20 0.55
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ C5AR1 P21730 1/20 0.51
▸ KISS1R Q969F8 3/20 0.50
▸ NPBWR1 P48145 1/20 0.50
▸ IL23R Q5VWK5 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ CAPN1 P07384 2/20 0.48
▸ CTSB P07858 2/20 0.48

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 0.95 KISS1R (0.56) CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL30797894 0.92 KISS1R (0.56) CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL30797971 0.91 KISS1R (0.55) CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL30173953 0.89 MC4R (0.58) CXCR4C5AR1KISS1RIL23R
SCHEMBL30797886 0.89 MC4R (0.58) CXCR4C5AR1KISS1RIL23R
SCHEMBL30798301 0.89 MC4R (0.58) CXCR4C5AR1KISS1RIL23R
SCHEMBL30798168 0.87 KISS1R (0.55) CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL30798043 0.87 CXCR4 (0.57) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL11593491 0.86 KISS1R (0.56) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL29942444 0.86 KISS1R (0.56) CXCR4NTSR2NTSR1SORT1KISS1R

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-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

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 CXCR4 4011/4885NTSR2 1646/4885NTSR1 1623/4885

“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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