SCHEMBL21579361

SCHEMBL21579361

CNC(=O)[C@H](CCCNC(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 4/20 0.46
▸ NMUR1 Q9HB89 4/20 0.46
▸ OPRD1 P41143 9/20 0.46
▸ OPRM1 P35372 3/20 0.46
▸ C5AR1 P21730 1/20 0.45
▸ NTSR1 P30989 2/20 0.43
▸ MC4R P32245 1/20 0.43
▸ MC5R P33032 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ MC1R Q01726 1/20 0.43
▸ IL23R Q5VWK5 1/20 0.43

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
SCHEMBL21579283 0.90 NTMT1 (0.47) OPRD1OPRM1
SCHEMBL21571000 0.87 NMUR2 (0.52) NMUR2NMUR1OPRD1OPRM1C5AR1
SCHEMBL21579357 0.87 NMUR2 (0.52) NMUR2NMUR1OPRD1OPRM1C5AR1
SCHEMBL21570976 0.86 NTMT1 (0.51) OPRD1OPRM1
SCHEMBL21570970 0.86 NTMT1 (0.51) OPRD1OPRM1
SCHEMBL21571015 0.86 NTMT1 (0.51) OPRD1OPRM1
SCHEMBL21579316 0.86 NTMT1 (0.51) OPRD1OPRM1
SCHEMBL21570973 0.86 NTMT1 (0.51) OPRD1OPRM1
SCHEMBL21570988 0.82 OPRM1 (0.48) OPRD1OPRM1
SCHEMBL21570990 0.82 OPRM1 (0.48) OPRD1OPRM1

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-20190352338-A1 INHIBITORS FOR PROTEIN N-TERMINAL METHYLTRANSFERASE AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2019-11-21 — — 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 (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-20190352338-A1 INHIBITORS FOR PROTEIN N-TERMINAL METHYLTRANSFERASE AND USES THEREOF GNMT, PRMT1, PRMT5 NMUR2 2597/4885NMUR1 2287/4885OPRD1 3806/4885

“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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