SCHEMBL4101713

SCHEMBL4101713

O=C1COc2cc(F)c(F)cc2N1CCCN1C2CCC1CC(OCC1CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.48
CHRM3 P20309 2/20 0.42
CHRM5 P08912 1/20 0.42
KCNH2 Q12809 8/20 0.39
DRD2 P14416 7/20 0.39
SCN5A Q14524 2/20 0.35
HTR2A P28223 1/20 0.35
MCHR1 Q99705 1/20 0.35
CHRM2 P08172 1/20 0.34
EGFR P00533 3/20 0.34

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
SCHEMBL13818265 1.00 CHRM1 (0.48) CHRM1CHRM3CHRM5KCNH2DRD2
SCHEMBL4091823 0.89 CHRM1 (0.54) CHRM1CHRM3CHRM5KCNH2DRD2
SCHEMBL4089822 0.85 CHRM1 (0.60) CHRM1CHRM3CHRM5KCNH2DRD2
SCHEMBL13692829 0.84 CHRM1 (0.48) CHRM1CHRM3CHRM5KCNH2DRD2
SCHEMBL4098114 0.82 CHRM1 (0.47) CHRM1CHRM3CHRM5KCNH2DRD2
SCHEMBL13818262 0.81 CHRM1 (0.58) CHRM1CHRM3CHRM5KCNH2DRD2
SCHEMBL13818263 0.81 CHRM1 (0.45) CHRM1CHRM3CHRM5KCNH2DRD2
SCHEMBL4102223 0.76 NMT1 (0.39) CHRM1CHRM3CHRM5KCNH2DRD2
SCHEMBL4095842 0.74 CHRM1 (0.68) CHRM1CHRM3CHRM5KCNH2DRD2
SCHEMBL4107064 0.74 CHRM1 (0.58) CHRM1CHRM3CHRM5KCNH2DRD2

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 6 patents. 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-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
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

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 CHRM1 23/4885CHRM3 17/4885CHRM5 16/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885CHRM3 1/4885CHRM5 2/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885CHRM3 1/4885CHRM5 2/4885

“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.