SCHEMBL19731209

SCHEMBL19731209

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.59
▸ OPRM1 P35372 2/20 0.59
▸ CCKAR P32238 1/20 0.58
▸ CCKBR P32239 1/20 0.58
▸ IL23R Q5VWK5 12/20 0.58
▸ GHSR Q92847 1/20 0.57

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
SCHEMBL26247054 0.91 IL23R (0.66) IL23R
SCHEMBL29496441 0.90 GHSR (0.65) GHSR
SCHEMBL29496564 0.90 GHSR (0.65) GHSR
SCHEMBL25037250 0.89 OPRD1 (0.72) OPRD1OPRM1CCKARCCKBRIL23R
SCHEMBL25037253 0.89 OPRD1 (0.72) OPRD1OPRM1CCKARCCKBRIL23R
SCHEMBL31619555 0.88 GHSR (0.70) OPRD1CCKARCCKBRGHSR
SCHEMBL30365614 0.88 OPRD1 (0.66) OPRD1OPRM1CCKARCCKBR
SCHEMBL30365438 0.88 OPRD1 (0.68) OPRD1OPRM1CCKARCCKBR
SCHEMBL27481891 0.87 KISS1R (0.60) IL23RGHSR
SCHEMBL27481890 0.87 KISS1R (0.60) IL23RGHSR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759843-B2 Method and pharmaceutical composition for use in the treatment of cancer Karoyan, Philippe (FR) 2020-09-01 — — US disclosed
US-20190135898-A1 METHOD AND PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF CANCER PEPKON SAS (FR) 2019-05-09 — — US disclosed
US-20170362302-A1 Method and Pharmaceutical Composition for Use in the Treatment of Cancer UNIVERSITE PARIS DIDEROT- PARIS 7 (FR) 2017-12-21 — — 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 (3 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-20190135898-A1 METHOD AND PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF CANCER KLKB1, KLK5, KLK1 OPRD1 2159/4885OPRM1 1507/4885CCKAR 2658/4885
US-20170362302-A1 Method and Pharmaceutical Composition for Use in the Treatment of Cancer KLKB1, KLK5, KLK1 OPRD1 2159/4885OPRM1 1507/4885CCKAR 2658/4885
US-10759843-B2 Method and pharmaceutical composition for use in the treatment of cancer KLKB1, KLK5, KLK1 OPRD1 2159/4885OPRM1 1507/4885CCKAR 2658/4885

“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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