SCHEMBL2081909

SCHEMBL2081909

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.50
NR1H2 P55055 2/20 0.41
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37
ESR2 Q92731 1/20 0.37
ATM Q13315 1/20 0.37
DPP4 P27487 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 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
SCHEMBL2079918 0.81 ADORA1 (0.55) ADORA1NR1H2MEN1ALDH1A1KMT2A
SCHEMBL31638070 0.81 ADORA1 (0.44) ADORA1NR1H2MEN1ALDH1A1KMT2A
SCHEMBL3304724 0.80 ADORA1 (0.60) ADORA1NR1H2MEN1ALDH1A1KMT2A
SCHEMBL2081926 0.78 ADORA1 (0.51) ADORA1NR1H2MEN1ALDH1A1KMT2A
SCHEMBL12923869 0.78 ADORA1 (0.51) ADORA1MEN1ALDH1A1KMT2AGPR119
SCHEMBL452692 0.78 ADORA1 (0.60) ADORA1NR1H2MEN1ALDH1A1KMT2A
SCHEMBL16328025 0.77 ADORA1 (0.56) ADORA1NR1H2MEN1ALDH1A1KMT2A
SCHEMBL21005765 0.77 ADORA1 (0.56) ADORA1NR1H2MEN1ALDH1A1KMT2A
SCHEMBL20067471 0.77 ADORA1 (0.39) ADORA1NR1H2MEN1ALDH1A1KMT2A
SCHEMBL17462553 0.76 ATM (0.43) ADORA1NR1H2MEN1ALDH1A1KMT2A

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 2864/4885MEN1 1918/4885

“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.