SCHEMBL2078435

SCHEMBL2078435

CCOC(=O)c1c(OC)nc2c(c1OC)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.53
GPR119 Q8TDV5 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
GRM5 P41594 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL25072626 0.75 MAPT (0.47) ADORA1GPR119ALDH1A1KDM4EHPGD
SCHEMBL2080390 0.75 ADORA1 (0.46) ADORA1ALDH1A1KDM4EHPGDMEN1
SCHEMBL2078299 0.74 ADORA1 (0.39) ADORA1ALDH1A1KDM4EGRM5SMN1; SMN2
SCHEMBL937489 0.73 ADORA1 (0.85) ADORA1ALDH1A1KDM4EHPGDMEN1
SCHEMBL23200226 0.72 ADORA1 (0.53) ADORA1ALDH1A1KDM4EHPGDMAPT
SCHEMBL7795815 0.71 ADORA1 (0.69) ADORA1ALDH1A1KDM4EHPGDMEN1
SCHEMBL23198536 0.71 ADORA1 (0.49) ADORA1LMNASMN1; SMN2MAPTATM
SCHEMBL27302179 0.70 ADORA1 (0.81) ADORA1ALDH1A1KDM4EHPGDMEN1
SCHEMBL938054 0.70 ADORA1 (1.00) ADORA1ALDH1A1KDM4EHPGDMEN1
SCHEMBL23198540 0.69 ADORA1 (0.48) ADORA1ALDH1A1MEN1LMNAGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US claimed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 US claimed
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US disclosed
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US disclosed
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US disclosed
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO disclosed
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 US disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 US disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 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-20070281918-A1 PYRIDOAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A ADORA1 91/4885GPR119 640/4885ALDH1A1 2362/4885

“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.