SCHEMBL263485

SCHEMBL263485

CC#CC(=O)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
BRAF P15056 1/20 0.33
HDAC1 Q13547 1/20 0.33
HSPA5 P11021 1/20 0.33
HTT P42858 1/20 0.33
FDPS P14324 1/20 0.32
TBXAS1 P24557 1/20 0.31
SMPD3 Q9NY59 1/20 0.31

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
SCHEMBL3760397 0.78
SCHEMBL8844292 0.76
SCHEMBL261605 0.76
SCHEMBL9936404 0.74 KMT2A (0.45) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL29014454 0.74 NPC1 (0.44) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL2321138 0.74
SCHEMBL98748 0.73
Hydrochloric Acid SCHEMBL26916941 0.72 NPC1 (0.49) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL26916942 0.72 NPC1 (0.49) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL1324 0.72 NPC1 (0.62) NPC1RAB9AKMT2AALDH1A1SMN1; 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9558863-B2 Electrically conductive polymers with enhanced conductivity KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2017-01-31 US disclosed
US-9243111-B2 Water-soluble electrically conductive polymers KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2016-01-26 US disclosed
US-20150083977-A1 ELECTRICALLY CONDUCTIVE POLYMERS WITH ENHANCED CONDUCTIVITY KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2015-03-26 US disclosed
US-8920681-B2 Electrically conductive polymers with enhanced conductivity KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2014-12-30 US disclosed
US-20140077135-A1 WATER-SOLUBLE ELECTRICALLY CONDUCTIVE POLYMERS KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2014-03-20 US disclosed
US-8536300-B2 Photocrosslinkable electrically conductive polymers KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2013-09-17 US disclosed
US-8535571-B2 Water-soluble electrically conductive polymers KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2013-09-17 US disclosed
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-8044227-B2 Preparation of pregabalin and related compounds PFIZER INC. (US) 2011-10-25 US disclosed
EP-1863780-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pharmacia & Upjohn Company LLC (US) 2007-12-12 EP disclosed
EP-1831154-A2 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS Warner-Lambert Company LLC (US) 2007-09-12 EP disclosed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 US disclosed
EP-1768952-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Warner-Lambert Company LLC (US) 2007-04-04 EP disclosed
WO-2006100568-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 WO disclosed
WO-2006000904-A2 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2006-01-05 WO disclosed
US-20050283023-A1 Preparation of pregabalin and related compounds HU SHANGHUI 2005-12-22 US disclosed
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin BAO JIAN 2005-10-13 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-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein SCN2A, CACNG2, SCN1A NPC1 2810/4885RAB9A 1331/4885KMT2A 3394/4885
US-20050283023-A1 Preparation of pregabalin and related compounds GABRE, GABRG1, GABRA6 NPC1 3760/4885RAB9A 2336/4885KMT2A 2049/4885
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin GABRA5, CNR1, GABRE NPC1 2524/4885RAB9A 2968/4885KMT2A 3511/4885

“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.