SCHEMBL2079918

SCHEMBL2079918

CCOC(=O)C1=C(N)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.55
NR1H2 P55055 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ESR2 Q92731 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL452692 0.91 ADORA1 (0.60) ADORA1NR1H2SMN1; SMN2USP2ESR2
SCHEMBL3304724 0.91 ADORA1 (0.60) ADORA1NR1H2SMN1; SMN2USP2ESR2
SCHEMBL12923869 0.86 ADORA1 (0.51) ADORA1SMN1; SMN2USP2ESR2GPR119
SCHEMBL2081926 0.86 ADORA1 (0.51) ADORA1NR1H2SMN1; SMN2USP2ESR2
SCHEMBL16328025 0.82 ADORA1 (0.56) ADORA1NR1H2SMN1; SMN2USP2ESR2
SCHEMBL21005765 0.82 ADORA1 (0.56) ADORA1NR1H2SMN1; SMN2USP2ESR2
SCHEMBL2081909 0.81 ADORA1 (0.50) ADORA1NR1H2SMN1; SMN2ESR2GPR119
SCHEMBL25343515 0.81 ADORA1 (0.51) ADORA1NR1H2SMN1; SMN2USP2ESR2
SCHEMBL1934813 0.80 ADORA1 (0.57) ADORA1NR1H2SMN1; SMN2USP2ESR2
SCHEMBL6868401 0.80 ADORA1 (0.56) ADORA1NR1H2SMN1; SMN2USP2ESR2

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-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 91/4885NR1H2 2864/4885SMN1; SMN2 2821/4885

“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.