SCHEMBL3609970

SCHEMBL3609970

NNc1cc(Cl)c(CO)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDXK O00764 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NNMT P40261 1/20 0.37
▸ EPHX2 P34913 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ CBFB Q13951 1/20 0.30

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
SCHEMBL3619572 0.79 LMNA (0.33) PDXKKDM4ELMNAALDH1A1HPGD
SCHEMBL17143267 0.76 PTK2 (0.50) MAPTKDM4EGAAL3MBTL1NNMT
SCHEMBL992612 0.74 PDXK (0.44) PDXKMAPTKDM4EGAAHTT
SCHEMBL29411201 0.74 PDXK (0.44) PDXKMAPTKDM4EGAAHTT
SCHEMBL31627634 0.74 JAK2 (0.44) MAPTSMN1; SMN2NNMTFGFR4MEN1
SCHEMBL16517754 0.71 PDXK (0.41) PDXKKDM4ELMNAALDH1A1HPGD
SCHEMBL20772267 0.71 NNMT (0.36) MAPTKDM4EGAAHTTSMN1; SMN2
SCHEMBL31461428 0.71 NNMT (0.36) MAPTKDM4EGAAHTTSMN1; SMN2
SCHEMBL31573580 0.71 PDXK (0.41) PDXKKDM4EGAAHTTLMNA
SCHEMBL29425138 0.71 PDXK (0.41) PDXKKDM4ELMNAALDH1A1HPGD

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
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 — — EP claimed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 — — US claimed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 — — EP claimed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 — — US claimed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 — — WO claimed
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2022-09-08 — — US disclosed
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 — — US disclosed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 — — EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 — — WO disclosed
EP-2097404-B1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-27 — — EP disclosed
EP-2097404-B1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-27 — — EP disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 — — EP disclosed
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERRING PHARMA AKTIENGELLSCHAFT (DE) 2010-04-15 — — US disclosed
CN-101600710-A Bipyridyl dihydropyrazolone that replaces and their application BAYER HEALTHCARE AG (DE) 2009-12-09 — — CN disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 — — EP disclosed
EP-2097404-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF Bayer HealthCare AG (DE) 2009-09-09 — — EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 — — US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 — — WO disclosed
WO-2008067874-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 — — WO disclosed
WO-2008067874-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 — — 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R PDXK 1039/4885MAPT 466/4885KDM4E 2876/4885
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 PDXK 1417/4885MAPT 649/4885KDM4E 3900/4885
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 PDXK 1449/4885MAPT 678/4885KDM4E 3828/4885
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF DCK, THPO, QDPR PDXK 8/4885MAPT 4836/4885KDM4E 1303/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R PDXK 1039/4885MAPT 466/4885KDM4E 2876/4885

“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.

Send feedback