SCHEMBL4012536

SCHEMBL4012536

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
JAK2 O60674 2/20 0.37
JAK1 P23458 1/20 0.37
GPR119 Q8TDV5 6/20 0.37
USP30 Q70CQ3 4/20 0.36
JAK3 P52333 2/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
PIK3CD O00329 3/20 0.36
PTK2 Q05397 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
SCHEMBL4195038 1.00 ESR2 (0.42) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL4202688 1.00 ESR2 (0.42) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL4203910 0.89 ESR2 (0.45) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL13568093 0.89 ESR2 (0.41) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL4198319 0.85 MEN1 (0.34)
SCHEMBL4201235 0.82 NR1H2 (0.47) ESR2NR1H2JAK2GPR119JAK3
SCHEMBL4208116 0.82 ESR2 (0.50) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL4200211 0.82 ESR2 (0.47) ESR2NR1H2GPR119PRMT5WDR77
SCHEMBL4208199 0.81 ESR2 (0.45) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL4202663 0.78 ESR2 (0.44) ESR2NR1H2GPR119USP30PRMT5

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-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-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 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 ESR2 550/4885NR1H2 873/4885JAK2 1764/4885

“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.