SCHEMBL4100512

SCHEMBL4100512

C[C@H](CN1CCC(OC(=O)OCC2CCC2)CC1)CN1C(=O)COc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.46
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HTT P42858 1/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
DRD2 P14416 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4091555 0.87 CHRM1 (0.46) CHRM1HPGDTSHRMEN1KMT2A
SCHEMBL4104038 0.87 CHRM1 (0.46) CHRM1HPGDTSHRMEN1KMT2A
SCHEMBL4101542 0.83 CHRM1 (0.47) CHRM1HPGDTSHRMEN1KMT2A
SCHEMBL4101545 0.83 CHRM1 (0.47) CHRM1HPGDTSHRMEN1KMT2A
SCHEMBL13692843 0.82 CHRM1 (0.49) CHRM1HPGDTSHRCHRM5DRD2
SCHEMBL13692830 0.78 CHRM1 (0.49) CHRM1PRMT5WDR77CHRM2CHRM5
SCHEMBL4095999 0.78 CHRM1 (0.47) CHRM1HPGDTSHRMEN1KMT2A
SCHEMBL4096001 0.78 CHRM1 (0.47) CHRM1HPGDTSHRMEN1KMT2A
SCHEMBL4101988 0.75 CHRM1 (0.56) CHRM1MEN1KMT2APRMT5WDR77
SCHEMBL4095255 0.75 CHRM1 (0.56) CHRM1MEN1KMT2APRMT5WDR77

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 8 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
EP-1828176-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 WO 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 23/4885HPGD 1463/4885TSHR 260/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885HPGD 597/4885TSHR 128/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885HPGD 597/4885TSHR 128/4885

“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.