SCHEMBL4201307

SCHEMBL4201307

CC1CN(C(=O)OC(C)(C)C)CCc2ccc(N3CCCCCC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
GPR119 Q8TDV5 5/20 0.42
NR1H2 P55055 1/20 0.42
PDE10A Q9Y233 4/20 0.42
MAP4K4 O95819 2/20 0.41
PIK3CD O00329 1/20 0.41
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
USP30 Q70CQ3 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4014808 1.00 ESR2 (0.43) ESR2GPR119NR1H2PDE10AMAP4K4
SCHEMBL4011248 1.00 ESR2 (0.43) ESR2GPR119NR1H2PDE10AMAP4K4
SCHEMBL4209371 1.00 ESR2 (0.43) ESR2GPR119NR1H2PDE10AMAP4K4
SCHEMBL4009809 0.90 PIK3CD (0.42) ESR2GPR119NR1H2PDE10AMAP4K4
SCHEMBL4202068 0.90 PIK3CD (0.42) ESR2GPR119NR1H2PDE10AMAP4K4
SCHEMBL4009808 0.90 PIK3CD (0.42) ESR2GPR119NR1H2PDE10AMAP4K4
SCHEMBL4206674 0.90 GPR119 (0.46) ESR2GPR119NR1H2PDE10AMAP4K4
SCHEMBL4015804 0.90 PIK3CD (0.44) ESR2GPR119NR1H2PDE10AMAP4K4
SCHEMBL4203467 0.90 PIK3CD (0.44) ESR2GPR119NR1H2PDE10AMAP4K4
SCHEMBL4015800 0.90 PIK3CD (0.44) ESR2GPR119NR1H2PDE10AMAP4K4

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 3 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

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 550/4885GPR119 220/4885NR1H2 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.