SCHEMBL262033

SCHEMBL262033

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.31
BRAF P15056 1/20 0.31
HDAC1 Q13547 1/20 0.31
HSPA5 P11021 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
FDPS P14324 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
SCHEMBL1899602 0.80 NPC1 (0.40) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL6910666 0.80 NPC1 (0.40) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL573387 0.75
SCHEMBL15122615 0.74 NPC1 (0.42) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL262314 0.73
SCHEMBL6809037 0.73
SCHEMBL28825040 0.72
SCHEMBL6158700 0.71
SCHEMBL22055452 0.71
SCHEMBL2321138 0.71

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 35 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-8535571-B2 Water-soluble electrically conductive polymers KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2013-09-17 US disclosed
US-8536300-B2 Photocrosslinkable electrically conductive polymers KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2013-09-17 US disclosed
CN-102102114-B Preparation of pregabalin and related compounds WARNER LAMBERT CO 2013-08-14 CN 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-20090042262-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2009-02-12 US disclosed
US-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein PFIZER INC. 2008-08-14 US disclosed
WO-2008015516-A1 FUSED TRICYCLIC HETEROCYCLES FOR THE TREATMENT OF SCHIZOPHRENIA PFIZER PRODUCTS INC. (US) 2008-02-07 WO 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
CN-101027278-A Preparation of beta-amino acids having affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2007-08-29 CN disclosed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 US disclosed
CN-1972904-A Preparation of pregabalin and related compounds WARNER LAMBERT CO (US) 2007-05-30 CN 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
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 (5 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 NPC1 3760/4885RAB9A 2336/4885KMT2A 2049/4885
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
US-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein OPRD1, CHRND, CHRNE NPC1 3527/4885RAB9A 1689/4885KMT2A 1405/4885

“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.