SCHEMBL8056922

SCHEMBL8056922

COc1ccc2c(n1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.51
MAPT P10636 2/20 0.50
ESR2 Q92731 1/20 0.50
NR1H2 P55055 1/20 0.49
GPR119 Q8TDV5 4/20 0.43
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13845054 0.91 MAPT (0.57) GRM5MAPTESR2NR1H2GPR119
SCHEMBL29586533 0.91 ESR2 (0.55) GRM5MAPTESR2NR1H2GPR119
SCHEMBL21326148 0.91 ESR2 (0.55) GRM5MAPTESR2NR1H2GPR119
SCHEMBL21040582 0.86 ESR2 (0.47) GRM5MAPTESR2NR1H2GPR119
SCHEMBL30207713 0.84 ESR2 (0.55) GRM5MAPTESR2NR1H2GPR119
SCHEMBL4207648 0.84 ESR2 (0.52) GRM5MAPTESR2NR1H2GPR119
SCHEMBL8055171 0.84 ESR2 (0.55) GRM5MAPTESR2NR1H2GPR119
SCHEMBL21041000 0.83 DRD3 (0.49)
SCHEMBL13568080 0.83 ESR2 (0.51) GRM5MAPTESR2NR1H2GPR119
SCHEMBL2080340 0.83 NR1H2 (0.56) GRM5MAPTESR2NR1H2GPR119

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed
WO-2008009125-A9 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS NPS ALLELIX CORP (CA) 2008-07-24 WO disclosed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 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 (1 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A GRM5 25/4885MAPT 2939/4885ESR2 550/4885

“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.