SCHEMBL8044950

SCHEMBL8044950

CC(C)(C)OC(=O)N1CCc2cc(Cl)c(N3CCOCC3)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTOR P42345 5/20 0.45
ESR2 Q92731 1/20 0.43
MAPT P10636 1/20 0.43
PIK3CA P42336 7/20 0.41
PIK3R1 P27986 3/20 0.41
PIK3CD O00329 1/20 0.41
RECQL P46063 1/20 0.40
PIK3CG P48736 1/20 0.40
ATR Q13535 1/20 0.40
AURKB Q96GD4 1/20 0.40
NR1H2 P55055 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 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
SCHEMBL4214586 0.96 USP2 (0.43) USP2SMN1; SMN2MTORESR2MAPT
SCHEMBL4209534 0.89 ESR2 (0.45) ESR2MAPTNR1H2GPR119
SCHEMBL8062860 0.88 MAPT (0.42) ESR2MAPTNR1H2GPR119
SCHEMBL4203005 0.87 USP2 (0.47) USP2SMN1; SMN2MTORESR2MAPT
SCHEMBL8057043 0.85 MAPT (0.42) ESR2MAPTNR1H2GPR119
SCHEMBL4204506 0.83 NPSR1 (0.38) SMN1; SMN2MAPTPIK3CAPIK3R1
SCHEMBL2110588 0.79 MTOR (0.45) USP2SMN1; SMN2MTORESR2MAPT
SCHEMBL4209617 0.76 MAPT (0.44) ESR2MAPTNR1H2GPR119
SCHEMBL4195090 0.76 USP2 (0.46) USP2SMN1; SMN2MTORESR2MAPT
SCHEMBL1832132 0.75 MTOR (0.58) USP2SMN1; SMN2MTORESR2MAPT

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
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 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 USP2 2716/4885SMN1; SMN2 965/4885MTOR 2428/4885

“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.