SCHEMBL280607

SCHEMBL280607

CCOC(=O)C(C(C#N)CC(C)C)C1OC(C)O1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.30
CTSL P07711 2/20 0.30
CAPN1 P07384 1/20 0.30
CTSB P07858 1/20 0.30
CTSG P08311 1/20 0.30
NPC1 O15118 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL280609 1.00 CYP3A4 (0.31) CYP3A4CYP2C19HTTLMNAMEN1
SCHEMBL261165 0.74 LMNA (0.37) HTTLMNAMEN1ALDH1A1TP53
SCHEMBL8274565 0.74 ALDH1A1 (0.36) CYP3A4CYP2C19HTTLMNAMEN1
SCHEMBL261164 0.74 LMNA (0.37) HTTLMNAMEN1ALDH1A1TP53
SCHEMBL2637205 0.74 LMNA (0.37) HTTLMNAMEN1ALDH1A1TP53
SCHEMBL8274597 0.72
SCHEMBL31164267 0.71 MEN1 (0.37) HTTLMNAMEN1ALDH1A1KMT2A
SCHEMBL268058 0.71 MEN1 (0.37) HTTLMNAMEN1ALDH1A1KMT2A
SCHEMBL268067 0.71 MEN1 (0.37) HTTLMNAMEN1ALDH1A1KMT2A
SCHEMBL268072 0.71 MEN1 (0.37) HTTLMNAMEN1ALDH1A1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134023-B2 Preparation of pregabalin and related compounds PFIZER INC (US) 2012-03-13 US disclosed
US-20120015412-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2012-01-19 US disclosed
US-20110065168-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2011-03-17 US disclosed
US-7838686-B2 Preparation of pregabalin and related compounds PFIZER INC. (US) 2010-11-23 US disclosed
EP-1831154-B1 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS WARNER LAMBERT CO (US) 2010-01-13 EP disclosed
EP-2071032-A2 The use of enzymatic resolution for the preparation of intermediates of pregabalin Teva Pharmaceutical Industries Ltd (IL) 2009-06-17 EP disclosed
EP-2067768-A1 A process for the preparation of (S)(+)-3-(aminomethyl)-5-methylhexanoic acid Dipharma Francis S.r.l. (IT) 2009-06-10 EP disclosed
US-20090042262-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2009-02-12 US disclosed
EP-1992609-A1 A process for the preparation of a (S)(+)-3-(aminomethyl)-5-methylhexanoic acid Dipharma Francis S.r.l. (IT) 2008-11-19 EP disclosed
WO-2008062460-A2 CRYSTALLINE FORMS OF PREGABALIN CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed
WO-2006000904-A2 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2006-01-05 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-20090042262-A1 Preparation of Pregabalin and Related Compounds GABRE, GABRG1, GABRA6 CYP3A4 119/4885CYP2C19 161/4885HTT 3176/4885
US-20110065168-A1 Preparation of Pregabalin and Related Compounds GABRE, GABRG1, GABRA6 CYP3A4 119/4885CYP2C19 161/4885HTT 3176/4885

“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.