SCHEMBL4015800

SCHEMBL4015800

CC1CN(C(=O)OC(C)(C)C)CCc2ccc(N3CCOCC3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP30 Q70CQ3 1/20 0.42
ESR2 Q92731 1/20 0.42
PIK3CA P42336 4/20 0.41
MTOR P42345 3/20 0.41
GPR119 Q8TDV5 3/20 0.41
NR1H2 P55055 1/20 0.41
PIK3R1 P27986 3/20 0.40
MAP4K4 O95819 1/20 0.40
PDE10A Q9Y233 1/20 0.40
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 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
SCHEMBL4015804 1.00 PIK3CD (0.44) PIK3CDUSP2SMN1; SMN2USP30ESR2
SCHEMBL4203467 1.00 PIK3CD (0.44) PIK3CDUSP2SMN1; SMN2USP30ESR2
SCHEMBL4202068 0.96 PIK3CD (0.42) PIK3CDUSP2SMN1; SMN2USP30ESR2
SCHEMBL4009808 0.96 PIK3CD (0.42) PIK3CDUSP2SMN1; SMN2USP30ESR2
SCHEMBL4009809 0.96 PIK3CD (0.42) PIK3CDUSP2SMN1; SMN2USP30ESR2
SCHEMBL2907415 0.91 PIK3CA (0.46) PIK3CDUSP2SMN1; SMN2USP30ESR2
SCHEMBL4206674 0.90 GPR119 (0.46) USP30ESR2GPR119NR1H2MAP4K4
SCHEMBL8059846 0.90 GPR119 (0.46) USP30ESR2GPR119NR1H2MAP4K4
SCHEMBL8059842 0.90 GPR119 (0.46) USP30ESR2GPR119NR1H2MAP4K4
SCHEMBL4011248 0.90 ESR2 (0.43) PIK3CDUSP30ESR2GPR119NR1H2

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 7 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-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 PIK3CD 2709/4885USP2 2716/4885SMN1; SMN2 965/4885

“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.