SCHEMBL4420197

SCHEMBL4420197

C=CCC1CC2CCC(C1)N2CCCN1C(=O)CSc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.46
RAD52 P43351 1/20 0.42
KIF11 P52732 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
GFER P55789 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
SCHEMBL4426469 0.83 CHRM1 (0.59) CHRM1
SCHEMBL4413293 0.83 CHRM1 (0.51) CHRM1TSHRALDH1A1LMNANPSR1
SCHEMBL4413340 0.81 CHRM2 (0.53) CHRM1
SCHEMBL4422432 0.79 CHRM1 (0.48) CHRM1
SCHEMBL4419712 0.73 DRD2 (0.36)
SCHEMBL1763985 0.72 TSHR (0.57) CHRM1TSHRALDH1A1LMNANPSR1
SCHEMBL1764680 0.72 TSHR (0.53) CHRM1TSHRALDH1A1LMNANPSR1
SCHEMBL4101516 0.70 TSHR (0.58) CHRM1TSHRALDH1A1LMNANPSR1
SCHEMBL8008759 0.70 TSHR (0.55) CHRM1TSHRALDH1A1LMNANPSR1
SCHEMBL4413190 0.69 MEN1 (0.45) CHRM1ALDH1A1

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 14 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
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 CHRM1 5/4885RAD52 2762/4885KIF11 3119/4885
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 CHRM1 23/4885RAD52 3715/4885KIF11 2720/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 CHRM1 5/4885RAD52 2762/4885KIF11 3119/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885RAD52 2762/4885KIF11 3119/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885RAD52 2762/4885KIF11 3119/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 CHRM1 5/4885RAD52 2857/4885KIF11 2226/4885

“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.