SCHEMBL4095761

SCHEMBL4095761

CC(CCl)CN1C(=O)CCc2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
PER2 O15055 1/20 0.46
CRY2 Q49AN0 1/20 0.46
ATAD2 Q6PL18 1/20 0.44
HDAC6 Q9UBN7 7/20 0.43
CHRM1 P11229 2/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 5/20 0.39
HDAC8 Q9BY41 3/20 0.39
NOTUM Q6P988 1/20 0.39
SRD5A1 P18405 1/20 0.39
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL4095766 1.00 CES2 (0.47) CES2PER2CRY2ATAD2HDAC6
SCHEMBL4096281 0.81 POLB (0.57) PER2CRY2CHRM1DRD2KCNH2
SCHEMBL4096279 0.81 POLB (0.57) PER2CRY2CHRM1DRD2KCNH2
SCHEMBL7251698 0.81 POLB (0.57) PER2CRY2CHRM1DRD2KCNH2
SCHEMBL4096053 0.77 CHRM1 (0.47) CHRM1ALDH1A1
SCHEMBL4096054 0.77 CHRM1 (0.47) CHRM1ALDH1A1
SCHEMBL4101050 0.77 CHRM1 (0.53) PER2CRY2ATAD2HDAC6CHRM1
SCHEMBL4096482 0.75 CHRM1 (0.53) CES2PER2CRY2ATAD2CHRM1
SCHEMBL4096484 0.75 CHRM1 (0.53) CES2PER2CRY2ATAD2CHRM1
SCHEMBL4095790 0.74 NPY5R (0.46) CHRM1ALDH1A1HTTPOLB

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 16 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
EP-1828176-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2007-09-05 EP 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
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 WO 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 CES2 779/4885PER2 2149/4885CRY2 3376/4885
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 CES2 2466/4885PER2 2300/4885CRY2 4094/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 CES2 779/4885PER2 2149/4885CRY2 3376/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CES2 779/4885PER2 2149/4885CRY2 3376/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CES2 779/4885PER2 2149/4885CRY2 3376/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 CES2 799/4885PER2 2402/4885CRY2 3428/4885

“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.