SCHEMBL2080348

SCHEMBL2080348

CC1CN(C(=O)OC(C)(C)C)CCc2c(O)cc(=O)[nH]c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
ESR2 Q92731 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
NR1H2 P55055 1/20 0.37
DDB1 Q16531 3/20 0.37
CRBN Q96SW2 3/20 0.37
BRD3 Q15059 1/20 0.36
CNR1 P21554 1/20 0.36
ADORA1 P30542 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
RORC P51449 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2081957 0.80 KDM4E (0.46) KDM4EMAPTTHRBESR2SMARCA2
SCHEMBL2079812 0.74 ADORA1 (0.48) KDM4EMAPTDDB1CRBNADORA1
SCHEMBL21241481 0.73 USP2 (0.44) KDM4EMAPTTHRBESR2NR1H2
SCHEMBL104498 0.73 USP2 (0.44) KDM4EMAPTTHRBESR2NR1H2
SCHEMBL28441771 0.73 USP2 (0.44) KDM4EMAPTTHRBESR2NR1H2
Ammonia Solution, Strong SCHEMBL28305195 0.72 USP2 (0.42) KDM4EMAPTTHRBESR2NR1H2
SCHEMBL12540339 0.71 KDM4E (0.48) KDM4EMAPTTHRBESR2NR1H2
SCHEMBL2337486 0.69 USP2 (0.42) KDM4EMAPTTHRBESR2NR1H2
SCHEMBL30474108 0.69 ESR2 (0.46) KDM4EMAPTTHRBESR2NR1H2
SCHEMBL5446908 0.68 ESR2 (0.64) ESR2SMARCA2SMARCA4PBRM1NR1H2

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 11 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
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO 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 KDM4E 1254/4885MAPT 1654/4885THRB 2244/4885

“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.