SCHEMBL4211280

SCHEMBL4211280

CN(Cc1ccccc1)c1ccc2c(n1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.46
JAK1 P23458 1/20 0.46
NR1H2 P55055 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 2/20 0.42
ESR2 Q92731 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
STS P08842 1/20 0.41
PDE10A Q9Y233 1/20 0.40
GAA P10253 1/20 0.39
THRB P10828 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
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
LMNA P02545 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
SCHEMBL4215851 0.91 NR1H2 (0.44) JAK2JAK1NR1H2ACHEMAPT
SCHEMBL4201235 0.86 NR1H2 (0.47) JAK2NR1H2MAPTESR2GPR119
SCHEMBL4212866 0.84 NR1H2 (0.46) JAK2NR1H2MAPTESR2GPR119
SCHEMBL13568084 0.84 NR1H2 (0.46) JAK2NR1H2MAPTESR2GPR119
SCHEMBL4204473 0.84 NR1H2 (0.46) JAK2NR1H2MAPTESR2GPR119
SCHEMBL12719901 0.84 MAPT (0.47) JAK2JAK1ACHEMAPTOPRD1
SCHEMBL4198464 0.84 NR1H2 (0.51) NR1H2MAPTESR2GPR119SMN1; SMN2
SCHEMBL4212658 0.82 NR1H2 (0.43) JAK2NR1H2ACHEMAPTESR2
SCHEMBL13568094 0.81 NR1H2 (0.48) NR1H2MAPTESR2GPR119CKS1B
SCHEMBL4208910 0.81 NR1H2 (0.48) JAK2NR1H2MAPTESR2GPR119

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
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
EP-2094695-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS Cascade Therapeutics Inc. (CA) 2009-09-02 EP 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 JAK2 1764/4885JAK1 2918/4885NR1H2 873/4885

“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.