SCHEMBL337989

SCHEMBL337989

CC(C)C[C@H](CC(N)=O)CC(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
CRHBP P24387 1/20 0.49
MAPK1 P28482 1/20 0.49
CRHR2 Q13324 1/20 0.49
PARP1 P09874 1/20 0.48
GPR139 Q6DWJ6 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL11931666 1.00 MAPT (0.50) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL6881780 0.89 MAPT (0.50) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL8248506 0.89 MAPT (0.52) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL13759541 0.89 MAPT (0.52) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL3773115 0.89 MAPT (0.52) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL8244522 0.89 MAPT (0.52) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL3865686 0.89 MAPT (0.52) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL337773 0.89 MAPT (0.52) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL17298642 0.87 MAPT (0.51) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL2013099 0.87 MAPT (0.51) MAPTMEN1KMT2AHPGDLMNA

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023885-B2 Process for the preparation of pregabalin HIKAL LIMITED (IN) 2018-07-17 US 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
EP-1841726-B1 AN ASYMMETRIC SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID TEVA PHARMA (IL) 2012-10-31 EP disclosed
EP-1841726-B1 AN ASYMMETRIC SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID TEVA PHARMA (IL) 2012-10-31 EP disclosed
US-8212071-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-07-03 US disclosed
US-8212071-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-07-03 US disclosed
US-8097754-B2 Synthesis of (S)-(+)-3-(aminomethyl)-5-methyl hexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-01-17 US disclosed
US-7973196-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-07-05 US disclosed
US-7973196-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-07-05 US disclosed
US-7446220-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-11-04 US disclosed
US-7446220-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-11-04 US disclosed
US-7446220-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-11-04 US disclosed
WO-2008118427-A2 SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYL HEXANOIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-02 WO disclosed
EP-1841726-A1 AN ASYMMETRIC SYNTHESIS OF ( S ) - ( + ) -3- (AMINOMETHYL) -5-METHYLHEXANOIC ACID Teva Pharmaceutical Industries Ltd (IL) 2007-10-10 EP disclosed
US-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-23 US disclosed
US-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-23 US disclosed
US-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-23 US disclosed
WO-2007035890-A1 AN ASYMMETRIC SYNTHESIS OF ( S ) - ( + ) -3- (AMINOMETHYL) -5-METHYLHEXANOIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-29 WO disclosed
WO-2007035890-A1 AN ASYMMETRIC SYNTHESIS OF ( S ) - ( + ) -3- (AMINOMETHYL) -5-METHYLHEXANOIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-29 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-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE MAPT 2162/4885MEN1 3041/4885KMT2A 1689/4885
US-10023885-B2 Process for the preparation of pregabalin CHRNA6, CHRNA9, ADH5 MAPT 2852/4885MEN1 4583/4885KMT2A 3317/4885

“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.