SCHEMBL4101516

SCHEMBL4101516

O=C1CSc2ccccc2N1CCCCl

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.51
CHRM1 P11229 2/20 0.50
LMNA P02545 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
GFER P55789 1/20 0.44
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL1763985 0.95 TSHR (0.57) TSHRALDH1A1NPSR1CHRM1LMNA
SCHEMBL8008759 0.85 TSHR (0.55) TSHRALDH1A1NPSR1CHRM1LMNA
SCHEMBL1764680 0.84 TSHR (0.53) TSHRALDH1A1NPSR1CHRM1LMNA
SCHEMBL12963502 0.81 NPSR1 (0.60) TSHRALDH1A1NPSR1CHRM1LMNA
SCHEMBL11821877 0.81 CYP2D6 (0.62) TSHRALDH1A1NPSR1CHRM1LMNA
SCHEMBL1764027 0.81 MEN1 (0.48) TSHRALDH1A1NPSR1LMNAGSK3B
SCHEMBL4095906 0.80 ALDH1A1 (0.39) TSHRALDH1A1NPSR1CHRM1LMNA
SCHEMBL4327026 0.79 NPSR1 (0.49) TSHRALDH1A1NPSR1CHRM1LMNA
SCHEMBL7366310 0.78 TSHR (0.78) TSHRALDH1A1NPSR1LMNAGFER
SCHEMBL7269755 0.78 MEN1 (0.63) TSHRALDH1A1NPSR1CHRM1LMNA

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 19 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
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO 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
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 TSHR 128/4885ALDH1A1 1893/4885NPSR1 320/4885
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 TSHR 260/4885ALDH1A1 1911/4885NPSR1 180/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 TSHR 128/4885ALDH1A1 1893/4885NPSR1 320/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 TSHR 128/4885ALDH1A1 1893/4885NPSR1 320/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 TSHR 128/4885ALDH1A1 1893/4885NPSR1 320/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 TSHR 94/4885ALDH1A1 1931/4885NPSR1 248/4885

“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.