SCHEMBL171949

SCHEMBL171949

CN(C)Cc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.66
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
RIPK1 Q13546 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
OPRM1 P35372 1/20 0.51
OPRL1 P41146 1/20 0.51
SLC6A3 Q01959 1/20 0.50
NOS1 P29475 1/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
HTR7 P34969 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL30798825 1.00 TAAR1 (0.66) TAAR1ALDH1A1TSHRRIPK1MEN1
SCHEMBL989636 0.84 ALDH1A1 (0.67) TAAR1ALDH1A1TSHRNOS1HTR7
SCHEMBL30093277 0.83 TAAR1 (0.56) TAAR1ALDH1A1RIPK1MEN1KMT2A
SCHEMBL21113554 0.83 TAAR1 (0.56) TAAR1ALDH1A1RIPK1MEN1KMT2A
SCHEMBL28797876 0.83 TAAR1 (0.56) TAAR1ALDH1A1RIPK1MEN1KMT2A
SCHEMBL12124994 0.82 TAAR1 (0.55) TAAR1ALDH1A1RIPK1MEN1KMT2A
SCHEMBL10294046 0.80 RIPK1 (0.55) TAAR1ALDH1A1RIPK1MEN1KMT2A
SCHEMBL12089006 0.80 TAAR1 (0.53) TAAR1ALDH1A1RIPK1MEN1KMT2A
SCHEMBL12772080 0.79 TAAR1 (0.52) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL3062305 0.79 TAAR1 (1.00) TAAR1SLC6A3HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117531520-A Catalyst and preparation method and application thereof 厦门大学 2024-02-09 CN disclosed
EP-3502099-B1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR MEDSHINE DISCOVERY INC (CN) 2020-12-09 EP disclosed
US-20190210975-A1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2019-07-11 US disclosed
US-9783573-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-10 US disclosed
EP-2664619-B1 Purine derivatives as tools for screening anti-Alzheimer compounds MANROS THERAPEUTICS (FR) 2017-07-12 EP disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
EP-2426125-B1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICALS INC (US) 2015-12-02 EP disclosed
US-20150322111-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 US disclosed
CN-101663270-A Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE INC 2010-03-03 CN disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 WO disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US 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 (7 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-20150322111-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 TAAR1 4127/4885ALDH1A1 3355/4885TSHR 4196/4885
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 TAAR1 1080/4885ALDH1A1 4017/4885TSHR 1198/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 TAAR1 1080/4885ALDH1A1 4017/4885TSHR 1198/4885
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 TAAR1 310/4885ALDH1A1 2839/4885TSHR 468/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 TAAR1 309/4885ALDH1A1 2815/4885TSHR 468/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B TAAR1 3763/4885ALDH1A1 839/4885TSHR 4126/4885
US-20190210975-A1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR PDE4A, PDE4B, PDE5A TAAR1 1823/4885ALDH1A1 608/4885TSHR 3186/4885

“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.