SCHEMBL338032

SCHEMBL338032

COC(=O)NCC(CC(=O)NC(C)c1ccccc1)CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.47
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
CRHBP P24387 1/20 0.46
MAPK1 P28482 1/20 0.46
CRHR2 Q13324 1/20 0.46
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL338031 1.00 GPR139 (0.47) GPR139MMP9MMP8MMP14MAPT
SCHEMBL338943 1.00 GPR139 (0.47) GPR139MMP9MMP8MMP14MAPT
SCHEMBL11931667 1.00 GPR139 (0.47) GPR139MMP9MMP8MMP14MAPT
SCHEMBL14448601 0.83 GPR139 (0.45) GPR139MMP9MMP8MMP14MAPT
SCHEMBL3865686 0.81 MAPT (0.52) GPR139MMP9MMP8MMP14MAPT
SCHEMBL8244522 0.81 MAPT (0.52) GPR139MMP9MMP8MMP14MAPT
SCHEMBL13759541 0.81 MAPT (0.52) GPR139MMP9MMP8MMP14MAPT
SCHEMBL337773 0.81 MAPT (0.52) GPR139MMP9MMP8MMP14MAPT
SCHEMBL3773115 0.81 MAPT (0.52) GPR139MMP9MMP8MMP14MAPT
SCHEMBL8248506 0.81 MAPT (0.52) GPR139MMP9MMP8MMP14MAPT

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 21 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-20090069596-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-12 US disclosed
US-20090069578-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-12 US disclosed
US-20090069600-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid 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
US-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-23 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 (8 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 GPR139 1403/4885MMP9 4638/4885MMP8 4884/4885
US-20090069596-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE GPR139 1403/4885MMP9 4638/4885MMP8 4884/4885
US-20100081841-A1 Novel asymmetric synthesis of (s)-(+)-3-(AMINOMETHYL)-5- methylhexanoic acid RIMKLA, COASY, GABRE GPR139 1403/4885MMP9 4638/4885MMP8 4884/4885
US-20080306292-A1 Synthesis of (S)-(+)-3-(aminomethyl)-5-methyl hexanoic acid ADSL, RIMKLA, ACSL6 GPR139 483/4885MMP9 4422/4885MMP8 4882/4885
US-20100324307-A1 NOVEL ASYMMETRIC SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID RIMKLA, COASY, GABRE GPR139 1403/4885MMP9 4638/4885MMP8 4884/4885
US-20090062562-A1 Novel asymmetric synthesis of (S)-(+)-3-(Aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE GPR139 1403/4885MMP9 4638/4885MMP8 4884/4885
US-20090069578-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE GPR139 1403/4885MMP9 4638/4885MMP8 4884/4885
US-20090069600-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE GPR139 1403/4885MMP9 4638/4885MMP8 4884/4885

“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.