SCHEMBL3865686

SCHEMBL3865686

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
CRHBP P24387 1/20 0.51
MAPK1 P28482 1/20 0.51
CRHR2 Q13324 1/20 0.51
GPR139 Q6DWJ6 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
NPC1 O15118 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL8244522 1.00 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL337773 1.00 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL8248506 1.00 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL13759541 1.00 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL3773115 1.00 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL17298642 0.90 MAPT (0.51) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL11931666 0.89 MAPT (0.50) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL6881780 0.89 MAPT (0.50) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL337989 0.89 MAPT (0.50) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL2013099 0.87 MAPT (0.51) MAPTHPGDLMNACRHBPMAPK1

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 22 patents — showing the first 20. 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-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
WO-2014072785-A2 A PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2014-05-15 WO disclosed
US-7563923-B2 Prepared by decyclization and amidation of 3-isobutylglutaric anhydride with chiral 1-amino-1-arylalkane by dissolving amine in aromatic hydrocarbon, ether, halogenated hydrocarbon, alcohol, ester, alkane, or ketone solvent; cooling to +10 to -70 degrees C.; and reacting with anhydride TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-21 US disclosed
US-7563923-B2 Prepared by decyclization and amidation of 3-isobutylglutaric anhydride with chiral 1-amino-1-arylalkane by dissolving amine in aromatic hydrocarbon, ether, halogenated hydrocarbon, alcohol, ester, alkane, or ketone solvent; cooling to +10 to -70 degrees C.; and reacting with anhydride TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-21 US disclosed
US-7563923-B2 Prepared by decyclization and amidation of 3-isobutylglutaric anhydride with chiral 1-amino-1-arylalkane by dissolving amine in aromatic hydrocarbon, ether, halogenated hydrocarbon, alcohol, ester, alkane, or ketone solvent; cooling to +10 to -70 degrees C.; and reacting with anhydride TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-21 US disclosed
US-7470812-B2 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-30 US disclosed
US-7465826-B2 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-16 US disclosed
CN-101282924-A Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the new synthesis of (S)-pregabalin TEVA PHARMA (IL) 2008-10-08 CN disclosed
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin KANSAL VINOD K 2008-02-28 US disclosed
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin KANSAL VINOD K 2008-02-28 US disclosed
US-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin KANSAL VINOD K 2008-02-21 US disclosed
US-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin KANSAL VINOD K 2008-02-21 US disclosed
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL USA, INC. 2007-08-16 US disclosed
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL USA, INC. 2007-08-16 US disclosed
EP-1802568-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-04 EP disclosed
WO-2007035789-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN 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 (4 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-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin GABRE, GABRA5, GABRA6 MAPT 1546/4885HPGD 1571/4885LMNA 4132/4885
US-10023885-B2 Process for the preparation of pregabalin CHRNA6, CHRNA9, ADH5 MAPT 2852/4885HPGD 199/4885LMNA 1468/4885
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 MAPT 1546/4885HPGD 1571/4885LMNA 4132/4885
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 MAPT 1546/4885HPGD 1571/4885LMNA 4132/4885

“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.