SCHEMBL3057770

SCHEMBL3057770

CNCCc1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 6/20 0.61
▸ ATM Q13315 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HTR1B P28222 1/20 0.40
▸ ALOX12 P18054 1/20 0.40

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
Hydrochloric Acid SCHEMBL1026695 0.98 TAAR1 (0.59) TAAR1ATMALDH1A1HTTKDM4E
SCHEMBL21243271 0.84 CHRM2 (0.59) TAAR1HTTHTR1ACHRM2MEN1
SCHEMBL13369612 0.83 TAAR1 (0.52) TAAR1ATMALDH1A1HTTKDM4E
SCHEMBL18731645 0.83 TAAR1 (0.52) TAAR1ALDH1A1HTTCHRM2MEN1
SCHEMBL6114374 0.80 TAAR1 (0.54) TAAR1ALDH1A1HTTKDM4ECHRM2
SCHEMBL21389316 0.80 TAAR1 (0.59) TAAR1ALDH1A1HTTKDM4EHTR1A
SCHEMBL17919372 0.80 TAAR1 (0.54) TAAR1ALDH1A1HTTCHRM2MEN1
SCHEMBL143962 0.80 TAAR1 (0.71) TAAR1ALDH1A1CHRM2LMNAKMT2A
SCHEMBL10725177 0.78 TAAR1 (0.52) TAAR1HTTHTR2ACHRM2MEN1
Hydrochloric Acid SCHEMBL11568175 0.78 TAAR1 (0.57) TAAR1ALDH1A1HTTKDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 — — EP disclosed
EP-3433247-B1 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-09-08 — — EP disclosed
EP-3390400-B1 HETEROARYLHYDROXYPYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2021-01-20 — — EP disclosed
EP-3484481-B1 METHODS FOR USE IN THE TREATMENT OF CLOSTRIDIUM DIFFICILE SCRIPPS RESEARCH INST (US) 2021-01-20 — — EP disclosed
US-10669261-B2 Heteroarylhydroxypyrimidinones as agonists of the APJ receptor Bristl-Myers Squibb Company (US) 2020-06-02 — — US disclosed
EP-3362442-B1 2,4-DIHYDROXY-NICOTINAMIDES AS APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-01-29 — — EP disclosed
EP-3530660-A1 4-HYDROXY-3-(HETEROARYL)PYRIDINE-2-ONE APJ AGONISTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS Bristol-Myers Squibb Company (US) 2019-08-28 — — EP disclosed
US-10336739-B2 4-hydroxy-3-(heteroaryl)pyridine-2-one APJ agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 — — US disclosed
EP-3303330-B1 4-HYDROXY-3-(HETEROARYL)PYRIDINE-2-ONE APJ AGONISTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BRISTOL MYERS SQUIBB CO (US) 2019-05-01 — — EP disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 — — EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 — — US disclosed
WO-2011043480-A1 HOMOCYSTEINE SYNTHASE INHIBITOR 田辺三菱製薬株式会社 (JP) 2011-04-14 — — WO disclosed
WO-2011043479-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION 田辺三菱製薬株式会社 (JP) 2011-04-14 — — WO disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 — — US disclosed
WO-2009125853-A1 HOMOCYSTEINE SYNTHASE INHIBITOR 田辺三菱製薬株式会社 (JP) 2009-10-15 — — WO disclosed
WO-2009001132-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 — — EP disclosed
EP-1887008-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-02-13 — — 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 (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-10336739-B2 4-hydroxy-3-(heteroaryl)pyridine-2-one APJ agonists TBXA2R, ADRA2C, ADRA2A TAAR1 507/4885ATM 3668/4885ALDH1A1 914/4885
US-10669261-B2 Heteroarylhydroxypyrimidinones as agonists of the APJ receptor APLNR, GPBAR1, AGTR1 TAAR1 295/4885ATM 2754/4885ALDH1A1 912/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 TAAR1 3031/4885ATM 3945/4885ALDH1A1 180/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 TAAR1 2120/4885ATM 3042/4885ALDH1A1 600/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885ATM 3588/4885ALDH1A1 2914/4885

“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.

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