SCHEMBL4885745

SCHEMBL4885745

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL4885742 1.00 CYP2D6 (0.43) CYP2D6CYP2C19CACNA2D1CACNB3CACNA1C
SCHEMBL4892333 0.91 CYP2D6 (0.41) CYP2D6CYP2C19HCAR2LMNAMAPT
SCHEMBL4892337 0.91 CYP2D6 (0.41) CYP2D6CYP2C19HCAR2LMNAMAPT
SCHEMBL4889414 0.89 CYP2D6 (0.47) CYP2D6CYP2C19CACNA2D1CACNB3CACNA1C
SCHEMBL4889421 0.89 CYP2D6 (0.47) CYP2D6CYP2C19CACNA2D1CACNB3CACNA1C
SCHEMBL4886375 0.89 NAAA (0.45) CYP2D6CYP2C19HCAR2MAPTMAPK1
SCHEMBL4886378 0.89 NAAA (0.45) CYP2D6CYP2C19HCAR2MAPTMAPK1
SCHEMBL4887138 0.84 CYP2D6 (0.46) CYP2D6CYP2C19CACNA2D1CACNB3CACNA1C
SCHEMBL4887135 0.84 CYP2D6 (0.46) CYP2D6CYP2C19CACNA2D1CACNB3CACNA1C
SCHEMBL4888992 0.84 CACNA2D1 (0.38) 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 CYP2D6 35/4885CYP2C19 161/4885CACNA2D1 360/4885

“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.