SCHEMBL30029328

SCHEMBL30029328

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.42
▸ REN P00797 6/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ NTMT1 Q9BV86 1/20 0.41
▸ ACE P12821 2/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ NTSR2 O95665 1/20 0.39

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
SCHEMBL30028306 0.94 OPRM1 (0.46) RENOPRM1NTMT1NTSR2
SCHEMBL30800861 0.89 DPP4 (0.43) RENOPRM1
SCHEMBL31399255 0.87 REN (0.44) RENOPRM1NTMT1NTSR2
SCHEMBL29962469 0.86 REN (0.44) RENOPRM1NTMT1ACENTSR2
SCHEMBL29669249 0.86 REN (0.45) RENOPRM1NTSR2
SCHEMBL29350551 0.85 GRB2 (0.56) NTSR2
SCHEMBL30937369 0.84 REN (0.43) RENOPRM1ACENTSR2
SCHEMBL29658176 0.84 GRB2 (0.44) RENOPRM1NTSR2
SCHEMBL28758609 0.84 REN (0.44) KDM1ARENOPRM1
SCHEMBL29801925 0.82 REN (0.45) RENACENTSR2

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-20220339239-A1 USE OF MELANOCORTINS TO TREAT INSULIN SENSITIVITY IPSEN PHARMA SAS (FR) 2022-10-27 — — 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-20220339239-A1 USE OF MELANOCORTINS TO TREAT INSULIN SENSITIVITY MC4R, MC1R, MC3R KDM1A 4859/4885REN 281/4885TACR1 133/4885

“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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