SCHEMBL263028

SCHEMBL263028

O=CC=CCc1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TAAR1 Q96RJ0 9/20 0.40
FDPS P14324 1/20 0.40
TBXAS1 P24557 2/20 0.39
HTR1A P08908 1/20 0.39
TERT O14746 1/20 0.38
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL2363791 0.82 ALOX15 (0.44) ALOX15TAAR1FDPSTBXAS1HTR1A
SCHEMBL9111684 0.82 ALOX15 (0.40) ALOX15TAAR1FDPSTBXAS1HTR1A
SCHEMBL9111673 0.82 ALOX15 (0.40) ALOX15TAAR1FDPSTBXAS1HTR1A
SCHEMBL344880 0.81
SCHEMBL9111174 0.81 ALOX15 (0.39) ALOX15TAAR1FDPSTBXAS1HTR1A
SCHEMBL9111180 0.81 ALOX15 (0.39) ALOX15TAAR1FDPSTBXAS1HTR1A
SCHEMBL6158703 0.78
SCHEMBL7553563 0.78
SCHEMBL1173140 0.78
SCHEMBL6158865 0.78

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 39 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
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
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
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 ALOX15 3539/4885TAAR1 2517/4885FDPS 4124/4885
US-20050283023-A1 Preparation of pregabalin and related compounds GABRE, GABRG1, GABRA6 ALOX15 1387/4885TAAR1 2549/4885FDPS 584/4885
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin GABRA5, CNR1, GABRE ALOX15 745/4885TAAR1 825/4885FDPS 1270/4885

“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.