SCHEMBL5352277

SCHEMBL5352277

CN(C)c1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.48
BACE1 P56817 1/20 0.36
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GAA P10253 2/20 0.34
ACE P12821 1/20 0.34
MASP2 O00187 1/20 0.34
CPB2 Q96IY4 2/20 0.33
METAP2 P50579 2/20 0.33
F2 P00734 1/20 0.33
METAP1 P53582 1/20 0.33
KLKB1 P03952 1/20 0.33
F7 P08709 1/20 0.33
MMP1 P03956 1/20 0.33
FCER2 P06734 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL5110275 0.92 CACNA1B (0.51) CACNA1BBACE1MASP2METAP2F2
SCHEMBL5344806 0.88 CACNA1B (0.54) CACNA1BGAACPB2MMP1
SCHEMBL4845524 0.88 CACNA1B (0.54) CACNA1BGAACPB2MMP1
Hydrochloric Acid SCHEMBL5363336 0.88 CACNA1B (0.53) CACNA1BGAACPB2MMP1
Hydrochloric Acid SCHEMBL5343343 0.88 CACNA1B (0.53) CACNA1BGAACPB2MMP1
SCHEMBL4842897 0.86 CACNA1B (0.46) CACNA1BBACE1HTR2CHTR2BGAA
SCHEMBL4843552 0.85 CACNA1B (0.63) CACNA1BBACE1HTR2CHTR2BMASP2
Hydrochloric Acid SCHEMBL5361551 0.85 CACNA1B (0.46) CACNA1BBACE1HTR2CHTR2BGAA
SCHEMBL5349615 0.85 CACNA1B (0.48) CACNA1BGAAACECPB2METAP2
Hydrochloric Acid SCHEMBL4841861 0.85 CACNA1B (0.63) CACNA1BBACE1HTR2CHTR2BMASP2

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 8 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
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP 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 1/4885BACE1 1211/4885HTR2C 1007/4885

“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.