SCHEMBL4886375

SCHEMBL4886375

CCCCCCCCOC(=O)C[C@@H](CNC(=O)O)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
FAAH O00519 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.40
ACHE P22303 6/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2C P28335 1/20 0.38
DGKA P23743 1/20 0.38

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
SCHEMBL4886378 1.00 NAAA (0.45) NAAAFAAHNPSR1HCAR2RAD52
SCHEMBL4892337 0.94 CYP2D6 (0.41) NAAAFAAHNPSR1HCAR2NPC1
SCHEMBL4892333 0.94 CYP2D6 (0.41) NAAAFAAHNPSR1HCAR2NPC1
SCHEMBL4885742 0.89 CYP2D6 (0.43) HCAR2MAPTMAPK1CYP2D6CYP2C19
SCHEMBL4885745 0.89 CYP2D6 (0.43) HCAR2MAPTMAPK1CYP2D6CYP2C19
SCHEMBL4889294 0.85 NAAA (0.56) NAAAFAAHNPSR1HCAR2RAD52
SCHEMBL4889414 0.84 CYP2D6 (0.47) MAPTCYP2D6CYP2C19
SCHEMBL4889421 0.84 CYP2D6 (0.47) MAPTCYP2D6CYP2C19
SCHEMBL4889296 0.83 NAAA (0.50) NAAAFAAHNPSR1HCAR2RAD52
SCHEMBL4887135 0.80 CYP2D6 (0.46) SMN1; SMN2MAPTL3MBTL1CYP2D6CYP2C19

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 NAAA 906/4885FAAH 183/4885NPSR1 1570/4885

“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.