Sugi Predict

Sugi Predict / Compounds / SCHEMBL737990

SCHEMBL737990

SCHEMBL737990

Ic1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 18/20 0.75
▸ KCNH2 Q12809 2/20 0.69
▸ ACHE P22303 1/20 0.69
▸ RAD52 P43351 1/20 0.69
▸ HRH1 P35367 1/20 0.67
▸ PDE1A P54750 1/20 0.66
▸ PDE1B Q01064 1/20 0.66
▸ PDE1C Q14123 1/20 0.66
▸ MAOB P27338 2/20 0.64
▸ ATM Q13315 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL2819407 1.00 HRH3 (0.75) HRH3KCNH2ACHERAD52HRH1
SCHEMBL73562 0.98 HRH3 (0.72) HRH3KCNH2ACHERAD52HRH1
SCHEMBL12834986 0.95 HRH3 (0.73) HRH3KCNH2PDE1APDE1BPDE1C
SCHEMBL16358313 0.93 HRH3 (0.71) HRH3KCNH2PDE1APDE1BPDE1C
SCHEMBL4708977 0.91 PSMB1 (0.70) HRH3PDE1APDE1BPDE1C
SCHEMBL1778223 0.91 PSMB1 (0.70) HRH3PDE1APDE1BPDE1C
SCHEMBL3581930 0.91 HRH3 (0.89) HRH3KCNH2ACHERAD52HRH1
SCHEMBL4517043 0.89 PSMB1 (0.67) HRH3PDE1APDE1BPDE1C
SCHEMBL3578646 0.87 HRH3 (0.90) HRH3KCNH2ACHERAD52HRH1
SCHEMBL4094339 0.86 HRH3 (1.00) HRH3KCNH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704578-A2 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF Inscent, Inc. (US) 2014-03-12 — — EP claimed
WO-2012151556-A2 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2012-11-08 — — WO claimed
US-11963527-B2 Compounds, compositions, and methods for altering insect and organism behavior BASF CORPORATION (US) 2024-04-23 — — US disclosed
WO-2020206491-A1 BEE REPELLENT EcoKimiko IPM Pty Ltd (AU) 2020-10-15 — — WO disclosed
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior BASF CORPORATION 2019-04-11 — — US disclosed
US-10098352-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2018-10-16 — — US disclosed
US-20160330960-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-11-17 — — US disclosed
US-20160330960-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-11-17 — — US disclosed
US-20160330960-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-11-17 — — US disclosed
US-9439434-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-09-13 — — US disclosed
US-9439434-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-09-13 — — US disclosed
WO-2004089373-A1 4- (4-(HETEROCYCLYLALKOXY}PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER’S GLAXO GROUP LIMITED (GB) 2004-10-21 — — WO disclosed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 — — US disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 — — WO disclosed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 — — EP disclosed
EP-1313721-A2 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-28 — — EP disclosed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 — — US disclosed
US-20020065278-A1 Non-imidazole aryloxyalkylamines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-05-30 — — US disclosed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 — — WO disclosed
WO-2002012214-A2 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2002-02-14 — — 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 (7 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-20160330960-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 HRH3 263/4885KCNH2 1330/4885ACHE 1/4885
US-10098352-B2 Honeybee repellents and uses thereof ACHE, AHNAK, L3MBTL3 HRH3 263/4885KCNH2 1330/4885ACHE 1/4885
US-20020065278-A1 Non-imidazole aryloxyalkylamines HNMT, HRH2, HRH3 HRH3 3/4885KCNH2 470/4885ACHE 506/4885
US-11963527-B2 Compounds, compositions, and methods for altering insect and organism behavior ACHE, DDT, MGLL HRH3 2662/4885KCNH2 4464/4885ACHE 1/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885KCNH2 488/4885ACHE 119/4885
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior ACHE, DDT, MGLL HRH3 2662/4885KCNH2 4464/4885ACHE 1/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885KCNH2 488/4885ACHE 119/4885

“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.