SCHEMBL4095757

SCHEMBL4095757

O=c1ccc2ccccc2n1CCCBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
BRPF1 P55201 1/20 0.50
CA9 Q16790 1/20 0.50
KAT2B Q92831 1/20 0.50
BRD9 Q9H8M2 1/20 0.50
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
NAMPT P43490 1/20 0.39
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PGR P06401 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL1764275 0.95 CA12 (0.49) CA12BRD4BRPF1CA9KAT2B
SCHEMBL5659862 0.83 CA12 (0.50) CA12BRD4BRPF1CA9KAT2B
SCHEMBL6198418 0.83 ALDH1A1 (0.55) CA12BRD4BRPF1CA9KAT2B
SCHEMBL4101677 0.83 CA12 (0.50) CA12BRD4BRPF1CA9KAT2B
SCHEMBL31251898 0.82 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3287841 0.82 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL4532625 0.81 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL9111783 0.81 CA12 (0.49) CA12BRD4BRPF1CA9KAT2B
SCHEMBL1037171 0.81 CA12 (0.49) CA12BRD4BRPF1CA9KAT2B
SCHEMBL1310539 0.80 CA12 (0.47) CA12BRD4BRPF1CA9KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522906-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8680115-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
US-7576078-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
US-7576100-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
US-7550459-B2 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. (US) 2009-06-23 US disclosed
CN-100402032-C Tetrahydroquinoline analogs as muscarinic agonists ACADIA PHARM INC (US) 2008-07-16 CN disclosed
US-7307075-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2007-12-11 US disclosed
EP-1828176-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
EP-1461318-B1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-09-14 EP disclosed
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2003-09-18 US disclosed
CN-1050604-C Compound with antipsychotic effect MEIJI SEIKA KABUSHIKA KAISHA (JP) 2000-03-22 CN disclosed
EP-0934932-A1 QUINOLINE DERIVATIVES AND PSYCHOTROPIC AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-08-11 EP disclosed
US-5599815-A SIDE EFFECT REDUCTION MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-02-04 US disclosed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
CN-1103534-A Compound with antipsychotic effect MEIJI SEIKA CO (JP) 1995-06-07 CN disclosed
EP-0635506-A1 COMPOUND WITH ANTIPSYCHOTIC EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-01-25 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 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 (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-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 CA12 2550/4885BRD4 327/4885BRPF1 1705/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CA12 2550/4885BRD4 327/4885BRPF1 1705/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CA12 2550/4885BRD4 327/4885BRPF1 1705/4885

“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.