SCHEMBL4882397

SCHEMBL4882397

CC(C)CC(CNC(=O)O)CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.57
CACNB3 P54284 1/20 0.57
CACNA1C Q13936 1/20 0.57
PGR P06401 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR2B P41595 1/20 0.57
CACNA2D2 Q9NY47 1/20 0.57
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 1/20 0.38
MME P08473 2/20 0.38
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
ALDH1A1 P00352 2/20 0.34
FOLH1 Q04609 2/20 0.33
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
MEN1 O00255 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
SCHEMBL4882396 1.00 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL18125945 1.00 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL28474689 0.88 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7782653 0.86 CACNA2D1 (0.55) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL28479280 0.86 CACNA2D1 (0.55) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL23182426 0.86 CACNA2D1 (0.55) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7787412 0.86 CACNA2D1 (0.55) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL18508446 0.85 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL18508351 0.85 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL16114938 0.83 CACNA2D1 (0.61) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID DIPHARMA FRANCIS S.R.L. (IT) 2008-12-18 US claimed
EP-1992609-A1 A process for the preparation of a (S)(+)-3-(aminomethyl)-5-methylhexanoic acid Dipharma Francis S.r.l. (IT) 2008-11-19 EP claimed
US-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID DIPHARMA FRANCIS S.R.L. (IT) 2008-12-18 US disclosed
EP-1992609-A1 A process for the preparation of a (S)(+)-3-(aminomethyl)-5-methylhexanoic acid Dipharma Francis S.r.l. (IT) 2008-11-19 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-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID ADH5, ALDH7A1, ADH1C CACNA2D1 360/4885CACNB3 575/4885CACNA1C 351/4885

“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.