SCHEMBL12508010

SCHEMBL12508010

CC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 16/20 0.66
▸ KISS1R Q969F8 3/20 0.55
▸ CD47 Q08722 1/20 0.55

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
SCHEMBL12417333 1.00 IL23R (0.66) IL23RKISS1RCD47
SCHEMBL13248747 1.00 IL23R (0.66) IL23RKISS1RCD47
SCHEMBL12508017 0.96 IL23R (0.66) IL23RKISS1R
SCHEMBL7738071 0.96 IL23R (0.66) IL23RKISS1R
SCHEMBL7731842 0.96 IL23R (0.66) IL23RKISS1R
SCHEMBL29403130 0.95 IL23R (0.65) IL23RKISS1RCD47
SCHEMBL13248737 0.95 IL23R (0.66) IL23RKISS1RCD47
SCHEMBL12417315 0.93 KISS1R (0.65) IL23RKISS1R
SCHEMBL14498063 0.93 IL23R (0.63) IL23RKISS1R
SCHEMBL14498068 0.93 KISS1R (0.65) IL23RKISS1R

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-20110172147-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS CONDE-KNAPE KARIN 2011-07-14 — — 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-20110172147-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R IL23R 550/4885KISS1R 125/4885CD47 2894/4885

“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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