SCHEMBL1856265

SCHEMBL1856265

N#CC(CN)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
HTR2A P28223 3/20 0.52
TRPA1 O75762 1/20 0.46
TSHR P16473 1/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HRH1 P35367 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 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
Hydrochloric Acid SCHEMBL7863498 0.98 TAAR1 (0.50) TAAR1HTR2ATRPA1TSHRCHRNB2
SCHEMBL12949533 0.83 HRH1 (0.56) TAAR1HTR2ATRPA1TSHRHRH1
SCHEMBL2010047 0.82 TRPA1 (0.52) TAAR1HTR2ATRPA1TSHRHRH1
SCHEMBL1344877 0.81 TSHR (0.50) TAAR1HTR2ATRPA1TSHRHRH1
Hydrochloric Acid SCHEMBL8171553 0.81 HRH1 (0.54) TAAR1HTR2ATRPA1TSHRHRH1
SCHEMBL7336616 0.79 HRH1 (0.59) TAAR1HTR2ATRPA1TSHRHRH1
SCHEMBL28036801 0.78 ESR2 (0.48) TAAR1
SCHEMBL10600837 0.78 ESR1 (0.63) TAAR1TSHRSLC6A2SLC6A3
SCHEMBL23199874 0.77 TSHR (0.52) TAAR1HTR2ATRPA1TSHR
SCHEMBL3516304 0.77 TAAR1 (0.52) TAAR1HTR2ACHRNB2CHRNA4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060277-A1 AMINATING AGENT AND METHOD FOR PRODUCING AMINATED PRODUCT AGC株式会社 2021-04-01 WO disclosed
CN-103969952-B New compound and its manufacture method, acid agent, anti-corrosion agent composition and Resist patterns forming method 东京应化工业株式会社 2017-08-01 CN disclosed
CN-106986792-A New compound and its manufacture method, acid agent, anti-corrosion agent composition and Resist patterns forming method 东京应化工业株式会社 2017-07-28 CN disclosed
CN-103635452-B The reduced coenzyme Q 10 crystal of excellent in stability 株式会社钟化 2017-03-15 CN disclosed
CN-103025881-B Process for preparing fat-soluble physiologically active substance KANEKA CORP. (JP) 2016-03-30 CN disclosed
CN-102656133-B Method for producing reduced coenzyme Q10, method for stabilizing same, and composition comprising same KANEKA CORP 2015-04-15 CN disclosed
US-20140371065-A1 Fungicidal Pyrimidine Compounds BASF SE (DE) 2014-12-18 US disclosed
CN-102381948-B Method of stabilizing reduced coenzyme Q10 KANEKA CORP. (JP) 2014-10-01 CN disclosed
CN-101842340-B Method for production of reduced coenzyme Q10 using water-containing organic solvent KANEKA CORP 2014-08-13 CN disclosed
CN-103635452-A Reduced coenzyme Q10 crystal having excellent stability KANEKA CORP 2014-03-12 CN disclosed
CN-1525951-A Reduced coenzyme Q10Method for stabilization of (3) and method for acid crystallization ��Ԩ��ѧ��ҵ��ʽ���� 2004-09-01 CN disclosed
CN-1140500-C Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives ��˹��ŵ�� 2004-03-03 CN disclosed
CN-1094487-C Oxime derivative and fungicide containing the same as active ingredient SHIONOGI & CO (JP) 2002-11-20 CN disclosed
CN-1085666-C 6-aryl pyrido (2,3-d) pyrimidines and naphthyridines for inhibiting protein tyrosine kinase medicated cellular proliferation WARNER LAMBERT CO (US) 2002-05-29 CN disclosed
CN-1268112-A Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives thereof NOVARTIS AG (CH) 2000-09-27 CN disclosed
CN-1169726-A 6-aryl pyrido (2,3-d) pyrimidines and naphthyridines for inhibiting protein tyrosine kinase medicated cellular proliferation WARNER LAMBERT CO (US) 1998-01-07 CN disclosed
CN-1144524-A Oxime derivative and fungicide containing the same as active ingredient SHIONOGI & CO (JP) 1997-03-05 CN disclosed
EP-0219961-B1 IRREVERSIBLE DOPAMINE-B-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-03-08 EP disclosed
US-4760089-A Benzonitrile derivative; enzyme inhibitor SMITHKLINE BECKMAN CORPORATION (US) 1988-07-26 US disclosed
EP-0219961-A1 Irreversible dopamine-B-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1987-04-29 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 (1 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-20140371065-A1 Fungicidal Pyrimidine Compounds DPM1, DPYD, TYMP TAAR1 3763/4885HTR2A 4506/4885TRPA1 2627/4885

“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.