SCHEMBL5644185

SCHEMBL5644185

COC(=O)C(C#N)=CCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
APP P05067 2/20 0.35
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 2/20 0.33
TNNI3 P19429 1/20 0.33
CRHBP P24387 1/20 0.33
TNNT2 P45379 1/20 0.33
KLK7 P49862 1/20 0.33
TNNC1 P63316 1/20 0.33
CRHR2 Q13324 1/20 0.33
SNCA P37840 1/20 0.33
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL15688613 1.00 ADORA2A (0.37) ADORA2AADORA2BADORA1POLBCYP2C9
SCHEMBL31126660 0.82 ALDH1A1 (0.46) POLBCYP2C9KDM4EALDH1A1MAPT
SCHEMBL1419495 0.82 CYP2C9 (0.56) POLBCYP2C9KDM4EALDH1A1MAPT
SCHEMBL1419493 0.82 CYP2C9 (0.56) POLBCYP2C9KDM4EALDH1A1MAPT
SCHEMBL1985139 0.80 CYP2C9 (0.32) CYP2C9
SCHEMBL2671871 0.79 CYP2C9 (0.42) ADORA2AADORA2BADORA1POLBCYP2C9
SCHEMBL10136090 0.79 ADORA2A (0.40) ADORA2AADORA2BADORA1POLBCYP2C9
SCHEMBL15607 0.79 GRIK1 (0.42) KDM4EALDH1A1LMNAGRIK1SLC16A1
SCHEMBL4072774 0.79 ADORA2A (0.40) ADORA2AADORA2BADORA1POLBCYP2C9
SCHEMBL10167752 0.79 CYP2C9 (0.42) ADORA2AADORA2BADORA1POLBCYP2C9

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 13 patents. 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-20150344919-A1 PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2015-12-03 US disclosed
EP-2916832-A2 A PROCESS FOR THE PREPARATION OF PREGABALIN Hikal Limited (IN) 2015-09-16 EP disclosed
WO-2014072785-A2 A PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2014-05-15 WO disclosed
US-7250433-B2 Tetrazole and oxadiazolone substituted β-amino acid derivatives WARNER LAMBERT COMPANY LLC (US) 2007-07-31 US disclosed
US-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US disclosed
EP-1603890-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED &bgr;-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP disclosed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP disclosed
US-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives BARTA NANCY SUE (US) 2005-01-20 US disclosed
WO-2004078734-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED β-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-09-16 WO disclosed
WO-2004065361-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
US-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 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 (3 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-20040147608-A1 Cyclopropyl beta-amino acid derivatives CACNA1S, CACNA1D, CACNA1B ADORA2A 203/4885ADORA2B 162/4885ADORA1 115/4885
US-10023885-B2 Process for the preparation of pregabalin CHRNA6, CHRNA9, ADH5 ADORA2A 2906/4885ADORA2B 1247/4885ADORA1 2187/4885
US-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives GLRA2, CACNG5, GLRB ADORA2A 170/4885ADORA2B 129/4885ADORA1 78/4885

“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.