SCHEMBL332680

SCHEMBL332680

N#CCc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
TAAR1 Q96RJ0 3/20 0.50
MMP3 P08254 1/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PYCR1 P32322 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42

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
SCHEMBL237972 0.84 ENPP2 (0.63) ENPP2MMP3TDP1KDM4EMEN1
Bromo Benzyl Cyanide SCHEMBL28326596 0.82 TRPA1 (0.56) ENPP2TAAR1MMP3IDO1AGXT
Benzene SCHEMBL5438521 0.81 ENPP2 (0.61) ENPP2MMP3TDP1KDM4EMAOB
SCHEMBL27802436 0.81 PARP1 (0.40) ENPP2TAAR1MMP3IDO1AGXT
SCHEMBL521090 0.79 MEN1 (0.73) TAAR1IDO1AGXTTDP1MAOB
SCHEMBL31135328 0.78 PYCR1 (0.56) TAAR1IDO1AGXTTDP1MAOB
SCHEMBL2944694 0.78 ENPP2 (0.53) ENPP2MMP3TDP1KDM4EMEN1
SCHEMBL4769655 0.78 PYCR1 (0.56) TAAR1IDO1AGXTTDP1MAOB
SCHEMBL4797497 0.78 TAAR1 (0.55) TAAR1IDO1AGXTTDP1MAOB
SCHEMBL10821045 0.78 TAAR1 (0.50) TAAR1IDO1AGXTTDP1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894363-B Synthesis process of 6-bromo-1, 2,3, 4-tetrahydroisoquinoline 苏州艾缇克药物化学有限公司 2025-02-11 CN claimed
CN-116987027-B Aggregation-induced emission photosensitizer and preparation method and application thereof 深圳市儿童医院 2024-07-09 CN claimed
CN-116987027-A Aggregation-induced emission photosensitizer and preparation method and application thereof 深圳市儿童医院 2023-11-03 CN claimed
CN-115894363-A Synthesis process of 6-bromo-1,2,3,4-tetrahydroisoquinoline 苏州艾缇克药物化学有限公司 2023-04-04 CN claimed
CN-108002991-B Visible light catalytic halogenated aromatic hydrocarbon dehalogenation method without photooxidation-reduction catalyst 陕西师范大学 2021-01-05 CN claimed
CN-103880745-B A kind of chemical synthesis process of the bromo- 1,2,3,4- tetrahydroisoquinoline -1- formic acid of 6- 南通大学 2018-12-04 CN claimed
CN-108178743-A A kind of Ai Le replaces the preparation method of Buddhist nun's key intermediate 安庆奇创药业有限公司 2018-06-19 CN claimed
CN-103880745-A Chemical synthesis method of 6-bromo-1,2,3,4-tetrahydroisoquinolyl-1-formic acid UNIV NANTONG 2014-06-25 CN claimed
CN-103396402-A Substituted aminoindanes and analogs thereof and their pharmaceutical uses SANOFI AVENTIS 2013-11-20 CN claimed
CN-102203059-A Substituted aminoindanes and analogs thereof and their pharmaceutical uses SANOFI AVENTIS 2011-09-28 CN claimed
CN-102190797-A Quick synthesizing method of triazinyl covalent bond organic framework material with nano pores and application thereof UNIV ANHUI 2011-09-21 CN claimed
CN-102140074-A Sulfonated aromatic dicarboxylic acid for synthesizing sulfonated polymer and preparation method of sulfonated aromatic carboxylic acid UNIV SHANGHAI JIAOTONG 2011-08-03 CN claimed
CN-101774871-A Method for preparing biaryl compound in pure water solution UNIV DALIAN TECH 2010-07-14 CN claimed
CN-1639123-A 4- (phenyl- (piperidin-4-yl) -amino) -benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2005-07-13 CN claimed
CN-1541203-A 4- (phenyl- (piperidin-4 yl) -amino) -benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders 2004-10-27 CN claimed
CN-122071475-A Ternary condensed ring derivative and medical application thereof 杭州百新生物医药科技有限公司 2026-05-22 CN disclosed
US-12617762-B2 Carboxy derivatives with antiinflamatory properties SITRYX THERAPEUTICS LIMITED (GB) 2026-05-05 US disclosed
EP-0302757-A2 Anti-emetic serotonin depleting agents A.H. ROBINS COMPANY, INCORPORATED (US) 1989-02-08 EP disclosed
US-4369322-A WITH CYANOGEN CHLORIDE DEGUSSA AG (DE) 1983-01-18 US disclosed
US-4252624-A FREE RADICAL CATALYST, WATER ELI LILLY AND COMPANY (US) 1981-02-24 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 (1 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-12617762-B2 Carboxy derivatives with antiinflamatory properties CCR1, CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ENPP2 1409/4885TAAR1 1278/4885MMP3 2770/4885

“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.