SCHEMBL4281441

SCHEMBL4281441

CN(C)c1ccc(CBr)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
TSHR P16473 5/20 0.64
MAPK1 P28482 3/20 0.64
CYP3A4 P08684 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TP53 P04637 2/20 0.46
CALM1 P0DP23 1/20 0.44
TRPA1 O75762 1/20 0.43
APP P05067 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41

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
SCHEMBL31704273 0.87 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL14018762 0.87 SLC2A1 (0.53) ALDH1A1TSHRMAPK1CYP3A4TDP1
Trimethylammonium SCHEMBL3792932 0.83 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL3125006 0.80 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL13851327 0.80 CHKA (0.71) ALDH1A1SMN1; SMN2
SCHEMBL12679051 0.78 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL76217 0.78 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL4405018 0.78 ALDH1A1 (0.70) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL29178568 0.78 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL10597785 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1CYP3A4TDP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483290-A A kind of method that copper catalyzes and synthesizes beta-ketoester SHANGHAI INST TECH 2019-11-22 CN claimed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
CN-110869373-B Antibiotic resistance disruptors 伦敦皇家学院 2023-03-07 CN disclosed
CN-112645891-B Small molecule compound combined with alpha-synuclein aggregate, preparation method and application thereof 复旦大学 2022-11-08 CN disclosed
US-20220220151-A1 METHOD FOR PREPARING PEPTIDES SULFOTOOLS GMBH (DE) 2022-07-14 US disclosed
US-11319340-B2 Method for preparing peptides SULFOTOOLS GMBH (DE) 2022-05-03 US disclosed
US-20200377548-A1 Method for Preparing Peptides SULFOTOOLS GMBH (DE) 2020-12-03 US disclosed
EP-3630779-A1 ANTIBIOTIC RESISTANCE BREAKERS Kings College London (GB) 2020-04-08 EP disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
EP-1814851-B1 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2013-06-05 EP disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US disclosed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 WO disclosed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 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 (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-20200377548-A1 Method for Preparing Peptides VIP, DNPEP, PEPD ALDH1A1 4402/4885TSHR 2493/4885MAPK1 1875/4885
US-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 ALDH1A1 481/4885TSHR 1210/4885MAPK1 1621/4885
US-11319340-B2 Method for preparing peptides VIP, DNPEP, PEPD ALDH1A1 4402/4885TSHR 2493/4885MAPK1 1875/4885
US-20220220151-A1 METHOD FOR PREPARING PEPTIDES VIP, DNPEP, PEPD ALDH1A1 4556/4885TSHR 2118/4885MAPK1 1721/4885
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers CACNA1A, CACNA1E, CACNA1B ALDH1A1 2001/4885TSHR 2791/4885MAPK1 3741/4885

“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.