SCHEMBL21164374

SCHEMBL21164374

CCCC[C@H]1C(=O)N[C@@H](CCC(C)C)C(=O)N(N)[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N(N)[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N(N)[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1N

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 1/20 0.51
▸ ABCB1 P08183 1/20 0.45
▸ HDAC4 P56524 2/20 0.43
▸ CIB1 Q99828 1/20 0.42
▸ NNMT P40261 4/20 0.41

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
SCHEMBL21164400 0.97 OXTR (0.52) OXTRABCB1HDAC4CIB1NNMT
SCHEMBL22292160 0.94 OXTR (0.52) OXTRABCB1HDAC4NNMT
SCHEMBL21164373 0.94 OXTR (0.53) OXTRABCB1HDAC4
SCHEMBL22292137 0.94 OXTR (0.53) OXTRABCB1HDAC4
SCHEMBL22326371 0.94 OXTR (0.53) OXTRABCB1HDAC4
SCHEMBL22326376 0.91 HDAC4 (0.52) OXTRABCB1HDAC4NNMT
SCHEMBL21164408 0.91 OXTR (0.52) OXTRABCB1HDAC4NNMT
SCHEMBL22326368 0.90 OXTR (0.53) OXTRABCB1HDAC4
SCHEMBL22326367 0.90 OXTR (0.53) OXTRABCB1HDAC4NNMT
SCHEMBL21164407 0.90 OXTR (0.55) OXTRABCB1HDAC4

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-10351602-B1 Antimicrobial analogues of gramicidin S UNIVERSITY OF SOUTH FLORIDA (US) 2019-07-16 — — 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-10351602-B1 Antimicrobial analogues of gramicidin S GMPS, AAAS, GNPDA1 OXTR 3605/4885ABCB1 1017/4885HDAC4 2862/4885

“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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