SCHEMBL4015347

SCHEMBL4015347

COc1nc2c(cc1Br)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ESR2 Q92731 1/20 0.44
NR1H2 P55055 1/20 0.44
KCNH2 Q12809 2/20 0.39
ROCK2 O75116 1/20 0.39
HTT P42858 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38
LMNA P02545 1/20 0.38
GRM5 P41594 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NSD2 O96028 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TLR9 Q9NR96 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL25072575 0.92 MAPT (0.52) MAPTESR2NR1H2KCNH2LMNA
SCHEMBL30278525 0.92 MAPT (0.52) MAPTESR2NR1H2KCNH2LMNA
SCHEMBL4524243 0.85 ESR2 (0.49) MAPTESR2NR1H2KCNH2LMNA
SCHEMBL19147509 0.82 MAPT (0.45) MAPTESR2NR1H2KCNH2HTT
SCHEMBL4209617 0.81 MAPT (0.44) MAPTESR2NR1H2KCNH2LMNA
SCHEMBL30912211 0.80 UCHL1 (0.39) MAPTESR2KCNH2ROCK2HTT
SCHEMBL30912215 0.80 UCHL1 (0.39) MAPTESR2KCNH2ROCK2HTT
SCHEMBL30912221 0.80 UCHL1 (0.39) MAPTESR2KCNH2ROCK2HTT
SCHEMBL13568090 0.79 MAPT (0.41) MAPTESR2NR1H2KCNH2LMNA
SCHEMBL4203005 0.79 USP2 (0.47) MAPTESR2NR1H2GPR119USP2

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 8 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-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 MAPT 2939/4885ESR2 550/4885NR1H2 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.