SCHEMBL21386009

SCHEMBL21386009

CNC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 2/20 0.61
▸ MC4R P32245 3/20 0.60
▸ MC5R P33032 2/20 0.60
▸ MC3R P41968 2/20 0.60
▸ MC1R Q01726 2/20 0.60
▸ CXCR4 P61073 10/20 0.59
▸ C5AR1 P21730 2/20 0.58
▸ TACR1 P25103 1/20 0.51
▸ CALCA P06881 1/20 0.51
▸ KISS1R Q969F8 1/20 0.50

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
SCHEMBL21386022 0.95 C5AR1 (0.65) IL23RMC4RMC5RMC3RMC1R
SCHEMBL16455572 0.92 MC4R (0.65) IL23RMC4RMC5RMC3RMC1R
SCHEMBL16455231 0.90 C5AR1 (0.68) IL23RMC4RMC5RMC3RMC1R
SCHEMBL29164274 0.90 MC4R (0.62) IL23RMC4RMC5RMC3RMC1R
SCHEMBL29164282 0.90 MC4R (0.62) IL23RMC4RMC5RMC3RMC1R
SCHEMBL31650786 0.90 MC4R (0.64) IL23RMC4RMC5RMC3RMC1R
SCHEMBL31187042 0.89 CXCR4 (0.63) IL23RMC4RMC5RMC3RMC1R
SCHEMBL31378995 0.89 C5AR1 (0.63) IL23RMC4RMC5RMC3RMC1R
SCHEMBL30717244 0.87 GHSR (0.60) IL23RMC4RMC5RMC3RMC1R
SCHEMBL29835266 0.86 MC4R (0.61) IL23RMC4RMC5RMC3RMC1R

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-10421954-B2 Hybrid polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2019-09-24 — — 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-10421954-B2 Hybrid polymers, pharmaceutical compositions and methods of synthesizing the same F12, RPS4Y1, NPY1R IL23R 1554/4885MC4R 534/4885MC5R 1400/4885

“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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