SCHEMBL4101724

SCHEMBL4101724

C[C@@H](CN1C(=O)CCc2ccccc21)C[Si](C)(C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.48
CHRM2 P08172 8/20 0.48
CHRM1 P11229 8/20 0.48
ADRA1A P35348 3/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 2/20 0.48
SLC22A1 O15245 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRM1 P35372 1/20 0.48
CACNA1B Q00975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL4101726 1.00 DRD3 (0.48) DRD3CHRM2CHRM1ADRA1ALMNA
SCHEMBL4097259 0.81 DRD3 (0.55) DRD3CHRM2CHRM1ADRA1ALMNA
SCHEMBL4097262 0.81 DRD3 (0.55) DRD3CHRM2CHRM1ADRA1ALMNA
SCHEMBL5196841 0.79 LMNA (0.36) DRD3CHRM2CHRM1ADRA1ALMNA
SCHEMBL4096279 0.79 POLB (0.57) DRD3CHRM2CHRM1ADRA1ALMNA
SCHEMBL4096281 0.79 POLB (0.57) DRD3CHRM2CHRM1ADRA1ALMNA
SCHEMBL7251698 0.79 POLB (0.57) DRD3CHRM2CHRM1ADRA1ALMNA
SCHEMBL4095573 0.79 DRD3 (0.55) DRD3CHRM2CHRM1ADRA1ALMNA
SCHEMBL4095572 0.79 DRD3 (0.55) DRD3CHRM2CHRM1ADRA1ALMNA
SCHEMBL19852526 0.72 POLB (0.55) DRD3CHRM2CHRM1ADRA1ALMNA

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 15 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-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
US-20060199810-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20060199813-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 US 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
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2003-09-18 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 (6 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-20060199813-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 DRD3 1008/4885CHRM2 3/4885CHRM1 5/4885
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 DRD3 269/4885CHRM2 28/4885CHRM1 23/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 DRD3 1008/4885CHRM2 3/4885CHRM1 5/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 DRD3 1008/4885CHRM2 3/4885CHRM1 5/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 DRD3 1008/4885CHRM2 3/4885CHRM1 5/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 DRD3 977/4885CHRM2 3/4885CHRM1 5/4885

“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.