SCHEMBL185585

SCHEMBL185585

CN(C)CCOc1ccc(CO)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.70
KEAP1 Q14145 1/20 0.68
NFE2L2 Q16236 1/20 0.68
LTA4H P09960 2/20 0.64
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
CYP2D6 P10635 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
NR1I2 O75469 1/20 0.49
PRKD3 O94806 1/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL3260775 0.91 HRH3 (0.71) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL20550862 0.85 HRH3 (0.51) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL8430078 0.82 HRH3 (0.72) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL2554940 0.82 HRH3 (0.72) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL9935084 0.81 CYP2D6 (0.66) HRH3LTA4HKDM4EESR1CYP2D6
SCHEMBL11649743 0.81 HRH3 (0.56) HRH3LTA4HALDH1A1SMN1; SMN2MAPT
SCHEMBL4607528 0.81 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL17974260 0.81 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL14608491 0.81 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL110426 0.81 KEAP1 (1.00) HRH3KEAP1NFE2L2LTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 US disclosed
EP-3765482-A1 NTCP INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2021-01-20 EP disclosed
CN-112218878-A NTCP inhibitors 北京生命科学研究所 2021-01-12 CN disclosed
WO-2020215267-A1 USE OF NTCP INHIBITORS IN PREVENTING AND TREATING HEPATOCARCINOGENESIS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-10-29 WO disclosed
WO-2019196953-A1 NTCP INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-10-17 WO disclosed
CN-106518706-A Itopride preparation method 安徽省诚联医药科技有限公司 2017-03-22 CN 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
EP-1025077-B1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES WYETH CORP (US) 2007-02-28 EP disclosed
EP-1025077-B1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES WYETH CORP (US) 2007-02-28 EP disclosed
US-6268504-B1 USED IN THE PRODUCTION OF PHARMACEUTICAL PRODUCTS AMERICAN HOME PRODUCTS CORPORATION 2001-07-31 US disclosed
US-6242605-B1 Aryloxy-alkyl-dialkylamines AMERICAN HOME PRODUCTS CORPORATION 2001-06-05 US disclosed
EP-1025077-A1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-09 EP disclosed
US-6005102-A NOVEL INTERMEDIATES WHICH MAY BE USED IN THE PRODUCTION OF PHARMACEUTICAL COMPOUNDS FOR ANTI-ESTROGENIC AND MATRIX METALLOPROTEINASES-INHIBITING UTILITIES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-21 US disclosed
WO-1999019293-A1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-04-22 WO disclosed
EP-0774966-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS LILLY CO ELI (US) 1998-01-07 EP disclosed
EP-0774966-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1997-05-28 EP disclosed
WO-1996009040-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1996-03-28 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 (2 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-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR HRH3 3373/4885KEAP1 2142/4885NFE2L2 3783/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR HRH3 3373/4885KEAP1 2142/4885NFE2L2 3783/4885

“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.