SCHEMBL4100750

SCHEMBL4100750

CCCCCC1CC2CC[C@H](C1)N2CC(C)CN1C(=O)CSc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
CHRM1 P11229 8/20 0.40
CHRM2 P08172 7/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM3 P20309 2/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
GFER P55789 1/20 0.37
RAD52 P43351 1/20 0.34
KIF11 P52732 1/20 0.34
CYP2D6 P10635 1/20 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
SCHEMBL4089931 1.00 NPSR1 (0.41) NPSR1CHRM1CHRM2LMNATSHR
SCHEMBL4100757 1.00 NPSR1 (0.41) NPSR1CHRM1CHRM2LMNATSHR
SCHEMBL4089929 1.00 NPSR1 (0.41) NPSR1CHRM1CHRM2LMNATSHR
SCHEMBL4089933 1.00 NPSR1 (0.41) NPSR1CHRM1CHRM2LMNATSHR
SCHEMBL4097747 0.97 NPSR1 (0.41) NPSR1CHRM1CHRM2LMNATSHR
SCHEMBL4101811 0.97 NPSR1 (0.41) NPSR1CHRM1CHRM2LMNATSHR
SCHEMBL4101813 0.97 NPSR1 (0.41) NPSR1CHRM1CHRM2LMNATSHR
SCHEMBL4097745 0.97 NPSR1 (0.41) NPSR1CHRM1CHRM2LMNATSHR
SCHEMBL4097751 0.97 NPSR1 (0.41) NPSR1CHRM1CHRM2LMNATSHR
SCHEMBL4091832 0.82 CHRM2 (0.56) CHRM1CHRM2LMNATSHRCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576078-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2009-08-18 US claimed
US-20060199810-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 US claimed
US-20060199813-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 US claimed
EP-1461318-B9 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-12-28 EP claimed
EP-1461318-B1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-09-14 EP claimed
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2003-09-18 US claimed
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
US-20060199810-A1 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
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 (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 NPSR1 320/4885CHRM1 5/4885CHRM2 3/4885
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 NPSR1 180/4885CHRM1 23/4885CHRM2 28/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 NPSR1 320/4885CHRM1 5/4885CHRM2 3/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 NPSR1 320/4885CHRM1 5/4885CHRM2 3/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 NPSR1 320/4885CHRM1 5/4885CHRM2 3/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 NPSR1 248/4885CHRM1 5/4885CHRM2 3/4885

“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.