SCHEMBL5356337

SCHEMBL5356337

CN(C)c1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
REN P00797 7/20 0.43
CYP3A4 P08684 1/20 0.43
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL14210087 0.91 CACNA1B (0.47) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL5124533 0.90 CTSS (0.49) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL14513815 0.89 PPARG (0.51) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL5361976 0.88 CACNA1B (0.57) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL5348792 0.88 CACNA1B (0.57) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL5350228 0.87 CACNA1B (0.56) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL5362306 0.87 CACNA1B (0.56) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL4846817 0.86 CACNA1B (0.59) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL5344672 0.86 PPARG (0.54) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL5349615 0.85 CACNA1B (0.48) CACNA1BCTSSCTSKPOLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CACNA1B 1/4885CTSS 1885/4885CTSK 3691/4885

“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.