SCHEMBL11989946

SCHEMBL11989946

CCCC(c1ccccc1)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
AOC3 Q16853 5/20 0.49
HTR2A P28223 3/20 0.47
HRH1 P35367 3/20 0.47
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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 SCHEMBL27689197 0.98 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4AOC3
SCHEMBL7175620 0.88 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4AOC3
SCHEMBL2172151 0.86 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4AOC3
Hydrochloric Acid SCHEMBL19809919 0.86 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4AOC3
SCHEMBL20260781 0.85 AOC3 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4AOC3
SCHEMBL9563665 0.84 AOC3 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4AOC3
SCHEMBL1006488 0.84 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4AOC3
SCHEMBL10614871 0.84 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4AOC3
Hydrochloric Acid SCHEMBL7709817 0.84 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4AOC3
SCHEMBL176479 0.84 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4AOC3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535482-A A kind of no resin, nano flame retardant masterbatch of binder free and preparation method thereof 大连亚泰科技新材料股份有限公司 2019-03-29 CN claimed
CN-101210305-B Tungsten alloy composite plating coat material and manufacturing method thereof WEI WANG 2011-09-28 CN claimed
CN-101210305-A Tungsten alloy composite plating coat material and manufacturing method thereof WEI WANG (CN) 2008-07-02 CN claimed
CN-1323459-C Fuel battery structure and process for preparing same UNIV TIANJIN (CN) 2007-06-27 CN claimed
CN-1667860-A Fuel battery structure and process for preparing same UNIV TIANJIN (CN) 2005-09-14 CN claimed
CN-109535482-A A kind of no resin, nano flame retardant masterbatch of binder free and preparation method thereof 大连亚泰科技新材料股份有限公司 2019-03-29 CN disclosed
US-9365552-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2016-06-14 US disclosed
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2015-02-12 US disclosed
CN-103014819-A Wearable compound layer material for machine parts and manufacturing method and equipment thereof XIAO YUNJIE 2013-04-03 CN disclosed
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG 2012-11-01 US disclosed
US-8247436-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2012-08-21 US disclosed
CN-101210305-B Tungsten alloy composite plating coat material and manufacturing method thereof WEI WANG 2011-09-28 CN disclosed
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG 2011-09-22 US disclosed
CN-101210305-A Tungsten alloy composite plating coat material and manufacturing method thereof WEI WANG (CN) 2008-07-02 CN disclosed
CN-100348780-C Method of pulse plating nickel based nano composite plating layer and equipment UNIV TIANJIN (CN) 2007-11-14 CN disclosed
CN-1323459-C Fuel battery structure and process for preparing same UNIV TIANJIN (CN) 2007-06-27 CN disclosed
CN-1924112-A Composite plating coat material for metallurgy conticaster crystallizer, preparation method and apparatus thereof UNIV TIANJIN (CN) 2007-03-07 CN disclosed
CN-1667860-A Fuel battery structure and process for preparing same UNIV TIANJIN (CN) 2005-09-14 CN disclosed
CN-1563505-A Method of pulse plating nickel based nano composite plating layer and equipment UNIV TIANJIN (CN) 2005-01-12 CN 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-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CHRNB2 280/4885CHRNB4 231/4885CHRNA3 197/4885
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CHRNB2 280/4885CHRNB4 231/4885CHRNA3 197/4885
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CHRNB2 280/4885CHRNB4 231/4885CHRNA3 197/4885

“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.