SCHEMBL97164

SCHEMBL97164

[CH2]CCCOc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 0.68
KCNA3 P22001 1/20 0.66
SLC6A4 P31645 2/20 0.62
HRH1 P35367 1/20 0.62
HTR1D P28221 2/20 0.59
NR2E1 Q9Y466 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 1/20 0.54

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
SCHEMBL7633057 0.94 KCNA3 (0.69) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL95124 0.93 KCNA3 (0.67) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL1534891 0.93 KCNA3 (0.67) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL8778496 0.93 KCNA3 (0.67) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL68267 0.90 HTR1B (0.67) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL9770352 0.88 KCNA3 (0.81) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL2177350 0.88 HTR1B (0.78) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902840 0.86 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902853 0.86 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902852 0.86 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
US-5362902-A Diuretics and treatment of cardiovascular disorders PFIZER INC. (US) 1994-11-08 US claimed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
CN-101248049-B Imidazole based lxr modulators EXELIXIS INC 2013-08-28 CN disclosed
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP disclosed
EP-0733364-A1 MEDICINAL COMPOSITION FOR CIRCULATORY ORGAN NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed
US-5447900-A Fluoran leuco dye and developer RICOH COMPANY, LTD. (JP) 1995-09-05 US disclosed
EP-0601184-A1 FUSED PYRIDAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-15 EP disclosed
US-5292750-A piperidine compounds NIPPON SHINYAKU CO. LTD. (JP) 1994-03-08 US disclosed
US-5192772-A Administering moranoline derivatives; anticoagulants NIPPON SHINYAKU CO. LTD. (JP) 1993-03-09 US disclosed
EP-0319986-A2 Fibrinolytic agents NIPPON SHINYAKU COMPANY, LIMITED (JP) 1989-06-14 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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 HTR1B 1138/4885KCNA3 3029/4885SLC6A4 3649/4885

“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.