SCHEMBL2210035

SCHEMBL2210035

NCCc1cccc(F)c1F

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.67
HTR2A P28223 2/20 0.48
MPO P05164 1/20 0.48
SLC6A4 P31645 1/20 0.48
HMGB1 P09429 1/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 1/20 0.40
HRH1 P35367 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL31061956 1.00 TAAR1 (0.67) TAAR1HTR2AMPOSLC6A4HMGB1
Hydrochloric Acid SCHEMBL2211422 0.98 TAAR1 (0.64) TAAR1HTR2AMPOSLC6A4HMGB1
SCHEMBL7052559 0.87 TAAR1 (0.48) TAAR1HTR2AMPOSLC6A4IDO1
SCHEMBL17748504 0.86 TAAR1 (0.48) TAAR1HTR2AMPOSLC6A4MAOB
SCHEMBL214409 0.85 TAAR1 (0.52) TAAR1HTR2AMPOSLC6A4MAOB
SCHEMBL959746 0.82 TAAR1 (0.56) TAAR1HTR2AMPOSLC6A4HMGB1
SCHEMBL23536662 0.80 TAAR1 (0.63) TAAR1HTR2AMPOSLC6A4HRH1
SCHEMBL3641106 0.80 TAAR1 (0.64) TAAR1HTR2AMPOSLC6A4MAOB
SCHEMBL17540645 0.80 TAAR1 (0.63) TAAR1HTR2AMPOSLC6A4HMGB1
SCHEMBL29401035 0.80 TAAR1 (1.00) TAAR1HTR2AMPOSLC6A4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN claimed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
EP-3793550-A2 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-03-24 EP disclosed
EP-3483149-B1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME YUHAN CORP (KR) 2021-01-13 EP disclosed
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same YUHAN CORPORATION (KR) 2019-08-20 US disclosed
US-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same YUHAN CORPORATION (KR) 2019-05-16 US disclosed
EP-3483149-A1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Yuhan Corporation (KR) 2019-05-15 EP disclosed
WO-2014055461-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-10 WO disclosed
EP-2121642-B1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2011-07-27 EP disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
EP-1869010-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 US disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 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-20080207698-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 TAAR1 1241/4885HTR2A 2897/4885MPO 1671/4885
US-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same ILK, SBDS, BDKRB1 TAAR1 3745/4885HTR2A 4659/4885MPO 4749/4885
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS TAAR1 4745/4885HTR2A 3938/4885MPO 4004/4885
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same ILK, SBDS, BDKRB1 TAAR1 3745/4885HTR2A 4659/4885MPO 4749/4885
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 TAAR1 138/4885HTR2A 204/4885MPO 2426/4885

“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.