SCHEMBL338918

SCHEMBL338918

CC(C)C[C@H](CC(N)=O)CC(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.48
ANPEP P15144 1/20 0.48
PSMB1 P20618 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.46
MMP1 P03956 1/20 0.46
FCER2 P06734 1/20 0.46

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
SCHEMBL4976068 0.89 MEN1 (0.56) MMP8MEN1KMT2AHPGDALDH1A1
SCHEMBL1616351 0.89 MEN1 (0.56) MMP8MEN1KMT2AHPGDALDH1A1
SCHEMBL4186748 0.86 KMT2A (0.56) MMP8MEN1KMT2AHPGDALDH1A1
SCHEMBL4184855 0.86 KMT2A (0.56) MMP8MEN1KMT2AHPGDALDH1A1
SCHEMBL17710657 0.83 MEN1 (0.53) MMP8MEN1KMT2AHPGDALDH1A1
SCHEMBL5866871 0.80 ALDH1A1 (0.71) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL17087481 0.79 MEN1 (0.55) MMP8MEN1KMT2AHPGDALDH1A1
Phenethylamine SCHEMBL31288496 0.78 HTR2A (0.48) MMP8KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL6432230 0.78 HPGD (0.60) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL4788083 0.78 HPGD (0.60) MEN1KMT2AHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7960583-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-06-14 US disclosed
US-7923575-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2011-04-12 US disclosed
US-20100324307-A1 NOVEL ASYMMETRIC SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID KANSAL VINOD KUMAR 2010-12-23 US disclosed
US-7851651-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-12-14 US disclosed
US-20100081841-A1 Novel asymmetric synthesis of (s)-(+)-3-(AMINOMETHYL)-5- methylhexanoic acid KANSAL VINOD KUMAR 2010-04-01 US disclosed
US-7687656-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-03-30 US disclosed
US-20090069593-A1 intermediates for synthesis of (S)-Pregabalin; anticonvulsants; crystalline form KANSAL VINOD KUMAR 2009-03-12 US disclosed
US-20090062562-A1 Novel asymmetric synthesis of (S)-(+)-3-(Aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-05 US disclosed
EP-2021318-A2 SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYL HEXANOIC ACID Teva Pharmaceutical Industries Ltd. (IL) 2009-02-11 EP disclosed
WO-2008118427-A9 SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYL HEXANOIC ACID TEVA PHARMA (IL) 2009-02-05 WO disclosed
US-20080306292-A1 Synthesis of (S)-(+)-3-(aminomethyl)-5-methyl hexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-11 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
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 (6 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 MMP8 4884/4885MEN1 3041/4885KMT2A 1689/4885
US-20090069593-A1 intermediates for synthesis of (S)-Pregabalin; anticonvulsants; crystalline form GABRE, GABRA5, GABRA6 MMP8 4877/4885MEN1 3106/4885KMT2A 2881/4885
US-20100081841-A1 Novel asymmetric synthesis of (s)-(+)-3-(AMINOMETHYL)-5- methylhexanoic acid RIMKLA, COASY, GABRE MMP8 4884/4885MEN1 3041/4885KMT2A 1689/4885
US-20080306292-A1 Synthesis of (S)-(+)-3-(aminomethyl)-5-methyl hexanoic acid ADSL, RIMKLA, ACSL6 MMP8 4882/4885MEN1 3614/4885KMT2A 2205/4885
US-20100324307-A1 NOVEL ASYMMETRIC SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID RIMKLA, COASY, GABRE MMP8 4884/4885MEN1 3041/4885KMT2A 1689/4885
US-20090062562-A1 Novel asymmetric synthesis of (S)-(+)-3-(Aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE MMP8 4884/4885MEN1 3041/4885KMT2A 1689/4885

“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.