SCHEMBL175157

SCHEMBL175157

CC(CN)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.60
HTR2A P28223 2/20 0.54
ALOX5 P09917 1/20 0.41
MAOA P21397 1/20 0.41
PYCR1 P32322 1/20 0.40
CYP2A6 P11509 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL20425554 1.00 TAAR1 (0.60) TAAR1HTR2AALOX5MAOAPYCR1
SCHEMBL12378777 1.00 TAAR1 (0.60) TAAR1HTR2AALOX5MAOAPYCR1
Hydrochloric Acid SCHEMBL5877710 0.98 TAAR1 (0.58) TAAR1HTR2AALOX5MAOAPYCR1
Hydrochloric Acid SCHEMBL5877704 0.98 TAAR1 (0.58) TAAR1HTR2AALOX5MAOAPYCR1
Hydrochloric Acid SCHEMBL5877780 0.98 TAAR1 (0.58) TAAR1HTR2AALOX5MAOAPYCR1
SCHEMBL3006604 0.87 TAAR1 (0.75) TAAR1HTR2AALDH1A1ALOX15
Hydrochloric Acid SCHEMBL6564727 0.85 TAAR1 (0.71) TAAR1HTR2AALOX15
SCHEMBL14966455 0.82 HTR2A (0.45) TAAR1HTR2AALOX5MAOAPYCR1
SCHEMBL10456468 0.78 PYCR1 (0.41) HTR2AALOX5MAOAPYCR1CYP2A6
SCHEMBL14221288 0.78 ALDH1A1 (0.44) HTR2AALOX5PYCR1CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097228-A1 COMPOUNDS TARGETING CDK11 AND METHODS OF USING THE SAME MELIORA THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
WO-2024010529-A1 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM RACEMIC EPOXIDES BY CASCADE BIOTRANSFORMATION INVOLVING EPOXIDE ISOMERIZATION AND DYNAMIC KINETIC RESOLUTION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2024-01-11 WO disclosed
US-20220048884-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2022-02-17 US disclosed
CN-105189497-B N- (2- cyano heterocycle) Pyrazolopyridine ketone as JANUS kinase inhibitor 默沙东公司 2019-05-03 CN disclosed
CN-108864076-A glucosylceramide synthase inhibitors 建新公司 2018-11-23 CN disclosed
CN-108368083-A heteroaryl compounds and their use as therapeutic agents 东亚首希控股股份有限公司 2018-08-03 CN disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed
CN-105073745-B glucosylceramide synthase inhibitors 建新公司 2018-06-29 CN disclosed
CN-107872976-A Method for treatment albumen matter disease 建新公司 2018-04-03 CN disclosed
CN-107080747-A Glucosylceramide synthase inhibitor 建新公司 2017-08-22 CN disclosed
US-20050245586-A1 2,5-Dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase mmp12 ASTRAZENECA AB (SE) 2005-11-03 US disclosed
CN-1688550-A 2, 5-dioxoimidazolidin-4-yl acetamides and analogs as metalloproteinase MMP12 inhibitors ASTRAZENECA AB (SE) 2005-10-26 CN disclosed
EP-1542977-A1 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. AstraZeneca AB (SE) 2005-06-22 EP disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US disclosed
WO-2004020415-A1 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. ASTRAZENECA AB (SE) 2004-03-11 WO disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 US disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP 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-20220048884-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 TAAR1 3550/4885HTR2A 2000/4885ALOX5 629/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 TAAR1 135/4885HTR2A 301/4885ALOX5 3689/4885
US-20050245586-A1 2,5-Dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase mmp12 MMP12, PDE12, MMP13 TAAR1 3540/4885HTR2A 2729/4885ALOX5 336/4885

“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.