SCHEMBL78095

SCHEMBL78095

C=CCOC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
HTR3A P46098 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR4 Q13639 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HRH1 P35367 2/20 0.32
ALDH1A1 P00352 1/20 0.30

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 SCHEMBL4432885 0.98 EPHX2 (0.35) EPHX2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL10290697 0.87
SCHEMBL24764448 0.87
Trifluoroacetic Acid SCHEMBL27730437 0.83 EPHX2 (0.36) EPHX2SLC6A2SLC6A4HRH1
SCHEMBL3933914 0.83
SCHEMBL472084 0.83 EPHX2 (0.44) EPHX2ALDH1A1
SCHEMBL3943544 0.78
SCHEMBL3945815 0.78
SCHEMBL49322 0.76 NPC1 (0.40) EPHX2ALDH1A1
SCHEMBL4570339 0.76 EPHX2 (0.41) EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102417502-B Azole antifungal compound, salts, preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2014-05-28 CN claimed
CN-102417502-A Azole antifungal compound, salts, preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2012-04-18 CN claimed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO claimed
EP-4688779-A2 NOVEL COMPOUNDS AND USES THEREOF Acelink Therapeutics, Inc. (US) 2026-02-11 EP disclosed
WO-2024211244-A2 NOVEL COMPOUNDS AND USES THEREOF ACELINK THERAPEUTICS, INC. (US) 2024-10-10 WO disclosed
US-9522906-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
CN-102796095-B As the tetrahydroquinoline analogues of muscarinic agonist ACADIA PHARMACEUTICAL, INC. (US) 2015-09-09 CN disclosed
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
CN-102417502-B Azole antifungal compound, salts, preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2014-05-28 CN disclosed
US-8680115-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
CN-102796095-A Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARM INC 2012-11-28 CN disclosed
EP-1264858-B1 POLYACETAL RESIN COMPOSITION AND PROCESS FOR ITS PRODUCTION POLYPLASTICS CO (JP) 2006-07-26 EP disclosed
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 WO disclosed
EP-1461318-B9 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-12-28 EP disclosed
US-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one ACADIA PHARMACEUTICALS INC. 2005-09-22 US disclosed
EP-1461318-B1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-09-14 EP disclosed
CN-1635891-A Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARM INC (US) 2005-07-06 CN disclosed
EP-1461318-A2 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2004-09-29 EP disclosed
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2003-09-18 US disclosed
WO-2003057672-A2 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2003-07-17 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 (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-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one CHRNA4, CHRNA2, CHRNA5 EPHX2 2152/4885SLC6A2 341/4885HTR2A 30/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 EPHX2 667/4885SLC6A2 750/4885HTR2A 194/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 EPHX2 667/4885SLC6A2 750/4885HTR2A 194/4885

“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.