SCHEMBL5350136

SCHEMBL5350136

CC(C)(C)OC(=O)N1CCSCC1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.71
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
REN P00797 5/20 0.37
HRH3 Q9Y5N1 2/20 0.36
METAP2 P50579 1/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CPB2 Q96IY4 1/20 0.36
CTSS P25774 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL4841903 0.93 CACNA1B (0.81) CACNA1BKMT2AMEN1RENMETAP2
SCHEMBL5349378 0.92 CACNA1B (0.60) CACNA1BKMT2AMEN1SRCALDH1A1
SCHEMBL14591494 0.90 CACNA1B (0.72) CACNA1BKMT2AMEN1RENHRH3
SCHEMBL4843239 0.86 CACNA1B (0.79) CACNA1BRENHRH3METAP2CPB2
SCHEMBL5361319 0.86 CACNA1B (0.85) CACNA1BHRH3METAP2ALDH1A1CPB2
SCHEMBL5350405 0.86 CACNA1B (0.70) CACNA1BKMT2AMEN1RENGHSR
SCHEMBL5348575 0.85 CACNA1B (0.69) CACNA1BKMT2AMEN1RENMETAP2
SCHEMBL14591492 0.85 CACNA1B (0.58) CACNA1BKMT2AMEN1RENALDH1A1
SCHEMBL5355876 0.85 CACNA1B (0.51) CACNA1BKMT2AMEN1HRH3SRC
SCHEMBL5345740 0.85 CACNA1B (0.69) CACNA1BKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
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 1/4885KMT2A 1929/4885MEN1 2633/4885

“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.