SCHEMBL5350180

SCHEMBL5350180

CN(C)c1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2NCCS2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.45
GAA P10253 1/20 0.34
ACE P12821 1/20 0.34
METAP2 P50579 3/20 0.33
CPB2 Q96IY4 2/20 0.33
TP53 P04637 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
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL5344664 0.88 CACNA1B (0.50) CACNA1BCPB2KLKB1MMP1SMN1; SMN2
Hydrochloric Acid SCHEMBL5428599 0.88 CACNA1B (0.49) CACNA1BCPB2KLKB1MMP1SMN1; SMN2
SCHEMBL5344271 0.86 CACNA1B (0.43) CACNA1BGAAACEPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5352291 0.85 CACNA1B (0.43) CACNA1BGAAACEPOLBSMN1; SMN2
SCHEMBL5349615 0.85 CACNA1B (0.48) CACNA1BGAAACEMETAP2CPB2
SCHEMBL5352277 0.83 CACNA1B (0.48) CACNA1BGAAACEMETAP2CPB2
SCHEMBL5350191 0.81 MAPK14 (0.35) GAATP53HTR2CHTR2BPOLB
SCHEMBL5354944 0.81 MAPK14 (0.35) GAATP53HTR2CHTR2BPOLB
SCHEMBL5356337 0.78 CACNA1B (0.46) CACNA1BPOLB
SCHEMBL5344542 0.78 CACNA1B (0.47) CACNA1BGAACPB2MMP1POLB

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 1/4885GAA 3754/4885ACE 2333/4885

“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.