SCHEMBL185250

SCHEMBL185250

CN(C)CCOc1cccc(CO)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.66
CHRNA4 P43681 3/20 0.66
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
LTA4H P09960 2/20 0.53
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
ESR1 P03372 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
FAAH O00519 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47

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
SCHEMBL2422195 0.92 KDM4E (0.57) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL11956181 0.85 CHRNB2 (0.63) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL781665 0.83 KEAP1 (0.70) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL3624812 0.82 MAPT (0.56) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL10602833 0.82 TSHR (0.54) KDM4EALDH1A1SMN1; SMN2GPBAR1CYSLTR1
SCHEMBL16902876 0.82 TSHR (0.54) KDM4EALDH1A1SMN1; SMN2GPBAR1CYSLTR1
SCHEMBL11245203 0.82 LTA4H (0.59) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL15472404 0.81 CHRNB2 (0.82) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL26731059 0.81 KDM4E (0.62) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL2933175 0.81 KMT2A (0.56) KDM4EALDH1A1FAAHSMN1; SMN2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020155879-A1 COMPOUND CONTAINING BENZYL STRUCTURE AND USE THEREOF 广州同隽医药科技有限公司 2020-08-06 WO disclosed
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
WO-2012135944-A9 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2014-01-09 WO disclosed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
WO-2012135944-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2012-10-11 WO disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 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 (4 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-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 CHRNB2 2023/4885CHRNA4 574/4885KDM4E 2789/4885
US-20140045833-A1 Protein Kinase Inhibitors LCK, BTK, TEC CHRNB2 2484/4885CHRNA4 3092/4885KDM4E 1287/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 CHRNB2 3568/4885CHRNA4 4072/4885KDM4E 3276/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 CHRNB2 3568/4885CHRNA4 4072/4885KDM4E 3276/4885

“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.