SCHEMBL21386022

SCHEMBL21386022

CNC(Cc1c[nH]cn1)C(=O)NC(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 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.65
▸ MC4R P32245 3/20 0.58
▸ MC5R P33032 2/20 0.58
▸ MC3R P41968 2/20 0.58
▸ MC1R Q01726 2/20 0.58
▸ CTSL P07711 3/20 0.57
▸ CTSS P25774 3/20 0.57
▸ CTSK P43235 3/20 0.57
▸ CTSH P09668 1/20 0.57
▸ IL23R Q5VWK5 1/20 0.57
▸ CXCR4 P61073 7/20 0.57
▸ NMBR P28336 2/20 0.52
▸ GRPR P30550 2/20 0.52
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51
▸ TUBB4B P68371 1/20 0.51
▸ TUBB3 Q13509 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
SCHEMBL16455231 0.96 C5AR1 (0.68) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL21386009 0.95 IL23R (0.61) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30427315 0.89 C5AR1 (0.72) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30800876 0.88 C5AR1 (0.72) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL16455572 0.88 MC4R (0.65) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL18388638 0.86 C5AR1 (0.74) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29164274 0.85 MC4R (0.62) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29164282 0.85 MC4R (0.62) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL31650786 0.85 MC4R (0.64) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30464986 0.85 MC4R (0.65) C5AR1MC4RMC5RMC3RMC1R

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 C5AR1 2544/4885MC4R 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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