SCHEMBL4095480

SCHEMBL4095480

O=C1COc2ccc(F)c(F)c2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.44
NR3C2 P08235 10/20 0.43
PARP1 P09874 1/20 0.41
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A4 P31645 1/20 0.38
MAPT P10636 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL15053068 0.84 DRD2 (0.43) MMP12NR3C2PARP1GRM5ALDH1A1
SCHEMBL8182873 0.83 NR3C2 (0.42) MMP12NR3C2PARP1GRM5ALDH1A1
SCHEMBL14080066 0.83 MMP12 (0.49) MMP12NR3C2PARP1KMT2ASMN1; SMN2
SCHEMBL8487320 0.80 NR3C2 (0.40) MMP12NR3C2PARP1GRM5ALDH1A1
SCHEMBL24775924 0.79 GAA (0.47) MMP12NR3C2PARP1GRM5ALDH1A1
SCHEMBL13157099 0.79 HTR1A (0.45) MMP12NR3C2PARP1GRM5ALDH1A1
SCHEMBL8201930 0.79 NR3C2 (0.42) MMP12NR3C2PARP1GRM5ALDH1A1
SCHEMBL15052486 0.79 MAPT (0.44) MMP12NR3C2PARP1ALDH1A1HTR1A
SCHEMBL24775925 0.79 HTR1A (0.43) MMP12NR3C2PARP1GRM5ALDH1A1
SCHEMBL7639396 0.79 NR3C2 (0.40) MMP12NR3C2PARP1GRM5ALDH1A1

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 6 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
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 MMP12 4290/4885NR3C2 234/4885PARP1 3082/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 MMP12 2473/4885NR3C2 329/4885PARP1 4103/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 MMP12 2473/4885NR3C2 329/4885PARP1 4103/4885

“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.