SCHEMBL1225841

SCHEMBL1225841

N#Cc1ccc(C2CO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP19A1 P11511 2/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MMP3 P08254 1/20 0.37
ENPP2 Q13822 1/20 0.37
KDM1A O60341 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1226208 1.00 TSHR (0.50) TSHRCYP2A6ALDH1A1CA12CA2
SCHEMBL1225840 1.00 TSHR (0.50) TSHRCYP2A6ALDH1A1CA12CA2
SCHEMBL10686501 0.87 TSHR (0.39) TSHRCYP2A6ALDH1A1CYP19A1MAOA
SCHEMBL10686497 0.87 TSHR (0.39) TSHRCYP2A6ALDH1A1CYP19A1MAOA
SCHEMBL10356459 0.83 CHRM2 (0.43) TSHRCYP2A6
SCHEMBL10689277 0.83 CHRM2 (0.43) TSHRCYP2A6
SCHEMBL28935583 0.83 MAOA (0.39) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL10549395 0.82 HRH3 (0.36) TSHRCYP2A6ALDH1A1CYP19A1MAOA
SCHEMBL7508064 0.80 CHRM2 (0.41) TSHRCYP2A6
SCHEMBL8046424 0.80 CHRM2 (0.41) TSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US disclosed
US-20220140392-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-05-05 US disclosed
CN-109593069-A A kind of method of biocatalysis synthesis 4- substituted oxazolidine ketone compound 遵义医学院 2019-04-09 CN disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-6770659-B2 Benzoyl piperidine compounds SK CORPORATION (KR) 2004-08-03 US disclosed
US-20040116464-A1 Aryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-17 US disclosed
WO-2004022568-A1 ARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-18 WO disclosed
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
WO-2004018423-A1 NEW BENZOYL PIPERIDINE COMPOUNDS SK CORPORATION (KR) 2004-03-04 WO disclosed
US-20040044033-A1 New benzoyl piperidine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2004-03-04 US disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
EP-1047695-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2000-11-02 EP disclosed
WO-1999031100-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 1999-06-24 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 (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-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 TSHR 3008/4885CYP2A6 990/4885ALDH1A1 943/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 TSHR 264/4885CYP2A6 1294/4885ALDH1A1 683/4885
US-20040044033-A1 New benzoyl piperidine compounds GABRE, GRIN2C, GRIN1 TSHR 3719/4885CYP2A6 2998/4885ALDH1A1 1459/4885

“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.