SCHEMBL4095906

SCHEMBL4095906

O=C1CSc2ccncc2N1CCCCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
USP2 O75604 1/20 0.37
CA9 Q16790 1/20 0.36
CHRM1 P11229 2/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL9845812 0.83 KMT2A (0.47) ALDH1A1MAPK1MAPTLMNAMEN1
SCHEMBL4101516 0.80 TSHR (0.58) ALDH1A1MAPK1LMNATSHRALOX15
SCHEMBL9850726 0.80 NPSR1 (0.50) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL9845834 0.78 NPSR1 (0.53) ALDH1A1MAPK1MAPTLMNAGAA
SCHEMBL1763985 0.76 TSHR (0.57) ALDH1A1MAPK1LMNATSHRALOX15
SCHEMBL9850703 0.76 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTLMNAMEN1
SCHEMBL4102163 0.74 CHRM1 (0.54) CHRM1
SCHEMBL9845852 0.73 NPSR1 (0.41) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL9850715 0.68 NPSR1 (0.48) ALDH1A1MAPTLMNAMEN1TP53
SCHEMBL8008759 0.66 TSHR (0.55) ALDH1A1LMNATSHRALOX15SIGMAR1

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 ALDH1A1 1893/4885MAPK1 3297/4885MAPT 2525/4885
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 ALDH1A1 1911/4885MAPK1 1570/4885MAPT 176/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 ALDH1A1 1893/4885MAPK1 3297/4885MAPT 2525/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 ALDH1A1 1893/4885MAPK1 3297/4885MAPT 2525/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 ALDH1A1 1893/4885MAPK1 3297/4885MAPT 2525/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 ALDH1A1 1931/4885MAPK1 3425/4885MAPT 2127/4885

“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.