SCHEMBL20133407

SCHEMBL20133407

NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.61
▸ HRH1 P35367 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.53
▸ ERAP1 Q9NZ08 1/20 0.53
▸ LNPEP Q9UIQ6 1/20 0.53
▸ SLC15A2 Q16348 1/20 0.52

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
SCHEMBL21852767 0.94 ERAP2 (0.54) RENERAP2ERAP1LNPEP
SCHEMBL13563453 0.85 REN (0.72) RENERAP2ERAP1LNPEP
SCHEMBL18862444 0.83 REN (0.55) RENHRH1ERAP2ERAP1LNPEP
SCHEMBL18862365 0.83 REN (0.67) RENHRH1ERAP2ERAP1LNPEP
SCHEMBL28381191 0.82 REN (0.55) REN
SCHEMBL17325320 0.82 SLC6A5 (0.55) RENSLC15A2
SCHEMBL18857602 0.82 REN (0.64) RENHRH1ERAP2ERAP1LNPEP
SCHEMBL14233122 0.81 MMP2 (0.55) RENHRH1ERAP2ERAP1LNPEP
SCHEMBL22722179 0.81 REN (0.65) RENHRH1ERAP2ERAP1LNPEP
SCHEMBL18862235 0.81 REN (0.65) RENHRH1ERAP2ERAP1LNPEP

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-20180126013-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R WAKE FOREST UNIVERSITY 2018-05-10 — — 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-20180126013-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R MC1R, MC3R, MC5R REN 3409/4885HRH1 686/4885ERAP2 2037/4885

“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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