SCHEMBL17710657

SCHEMBL17710657

CC(C)CC(CNC(=O)O)CC(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
ANPEP P15144 1/20 0.48
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 1/20 0.46
MMP1 P03956 1/20 0.46
FCER2 P06734 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL1616351 0.86 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL4976068 0.86 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17722006 0.84 REN (0.48) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL338918 0.83 MMP8 (0.54) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL5866871 0.80 ALDH1A1 (0.71) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL3872511 0.76 KMT2A (0.55) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2299158 0.76 MEN1 (0.55) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL5907663 0.76 MEN1 (0.65) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21233937 0.76 MEN1 (0.65) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL4191585 0.76 HPGD (0.52) MEN1KMT2AHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422230-B2 Process for the preparation of an anticonvulsant agent pregabalin hydrochloride COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-08-23 US disclosed
US-20160122289-A1 PROCESS FOR THE PREPARATION OF AN ANTICONVULSANT AGENT PREGABALIN HYDROCHLORIDE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-05-05 US 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-20160122289-A1 PROCESS FOR THE PREPARATION OF AN ANTICONVULSANT AGENT PREGABALIN HYDROCHLORIDE GABRE, GABRG1, GABRB2 MEN1 2485/4885KMT2A 2396/4885HPGD 718/4885

“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.