SCHEMBL577316

SCHEMBL577316

C=C(C)C[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
MAPK1 P28482 1/20 0.47
GRM5 P41594 1/20 0.39
HSD11B1 P28845 1/20 0.37
HSD17B2 P37059 1/20 0.36
P2RX3 P56373 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34

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
SCHEMBL10013281 1.00 KMT2A (0.58) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL14139680 0.86 KMT2A (0.54) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL576462 0.83 KMT2A (0.63) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL523899 0.83 KMT2A (0.63) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL523900 0.83 KMT2A (0.63) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL576463 0.83 KMT2A (0.63) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL4529849 0.83 KMT2A (0.63) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL5626616 0.83 KMT2A (0.63) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL27902911 0.83 KMT2A (0.63) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL8207326 0.83 KMT2A (0.63) KMT2AMAPK1GRM5HSD11B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212072-B2 Process for the preparation of pregabalin Divi's Laboratories, Ltd. (IN) 2012-07-03 US claimed
US-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN DIVI'S LABORATORIES LIMITED (IN) 2012-02-16 US claimed
EP-2418194-A1 Process for the preparation of pregabalin Divi's Laboratories Limited (IN) 2012-02-15 EP claimed
US-8212072-B2 Process for the preparation of pregabalin Divi's Laboratories, Ltd. (IN) 2012-07-03 US disclosed
US-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN DIVI'S LABORATORIES LIMITED (IN) 2012-02-16 US disclosed
EP-2418194-A1 Process for the preparation of pregabalin Divi's Laboratories Limited (IN) 2012-02-15 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-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN GABRA5, GABRA6, GABRE KMT2A 2233/4885MAPK1 3216/4885GRM5 22/4885

“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.