SCHEMBL2907286

SCHEMBL2907286

CCOC(=O)C[C@H](Br)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TRPA1 O75762 1/20 0.45
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.35
LMNA P02545 2/20 0.34
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2907288 1.00 ALDH1A1 (0.45) ALDH1A1TRPA1MGAMGAASI
SCHEMBL6585676 0.85 ALDH1A1 (0.54) ALDH1A1TRPA1MGAMGAASI
SCHEMBL7164543 0.82 ALDH1A1 (0.43) ALDH1A1TRPA1MGAMGAASI
SCHEMBL6276955 0.81 ALDH1A1 (0.50) ALDH1A1TRPA1MGAMGAASI
SCHEMBL234997 0.79 MGAM (0.46) ALDH1A1TRPA1MGAMGAASI
SCHEMBL8217960 0.79 MGAM (0.46) ALDH1A1TRPA1MGAMGAASI
SCHEMBL11285667 0.79 ALDH1A1 (0.54) ALDH1A1TRPA1MGAMGAASI
SCHEMBL328925 0.79
SCHEMBL27828 0.78
SCHEMBL27845082 0.78 MGAM (0.55) ALDH1A1TRPA1MGAMGAASI

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
EP-2916832-B1 A PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LTD (IN) 2019-01-16 EP disclosed
US-10023885-B2 Process for the preparation of pregabalin HIKAL LIMITED (IN) 2018-07-17 US disclosed
US-20150344919-A1 PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2015-12-03 US disclosed
US-20150344919-A1 PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2015-12-03 US disclosed
US-20100324139-A1 PROCESS TO PREGABALIN GENERICS [UK] LIMITED (GB) 2010-12-23 US disclosed
US-20100324139-A1 PROCESS TO PREGABALIN GENERICS [UK] LIMITED (GB) 2010-12-23 US disclosed
US-20100324139-A1 PROCESS TO PREGABALIN GENERICS [UK] LIMITED (GB) 2010-12-23 US disclosed
EP-2222630-A1 PROCESSES TO PREGABALIN Generics (UK) Limited (GB) 2010-09-01 EP disclosed
WO-2009081208-A1 PROCESSES TO PREGABALIN GENERICS [UK] LIMITED (GB) 2009-07-02 WO disclosed
WO-2009081208-A1 PROCESSES TO PREGABALIN GENERICS [UK] LIMITED (GB) 2009-07-02 WO 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 (2 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-10023885-B2 Process for the preparation of pregabalin CHRNA6, CHRNA9, ADH5 ALDH1A1 214/4885TRPA1 1714/4885MGAM 357/4885
US-20100324139-A1 PROCESS TO PREGABALIN GABRB2, GABRE, GABRB1 ALDH1A1 921/4885TRPA1 1249/4885MGAM 222/4885

“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.