SCHEMBL20547140

SCHEMBL20547140

CC(C)(C)OC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)[nH]c2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
NR1H2 P55055 1/20 0.40
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2076077 0.76 HDAC1 (0.48) KDM4EDDB1CRBNPARP1TNKS2
SCHEMBL2075898 0.74 KDM4E (0.45) ADORA1USP2SMN1; SMN2ESR2KDM4E
SCHEMBL31028 0.73 USP2 (0.56) ADORA1USP2SMN1; SMN2ESR2KDM4E
SCHEMBL27669441 0.73 USP2 (0.56) ADORA1USP2SMN1; SMN2ESR2KDM4E
SCHEMBL29689663 0.73 ADORA1 (0.47) ADORA1USP2SMN1; SMN2ESR2KDM4E
SCHEMBL26125401 0.72 ADORA1 (0.46) ADORA1USP2SMN1; SMN2ESR2KDM4E
Ammonia Solution, Strong SCHEMBL27841683 0.72 USP2 (0.55) ADORA1USP2SMN1; SMN2ESR2KDM4E
SCHEMBL31138807 0.71 ADORA1 (0.45) ADORA1USP2SMN1; SMN2ESR2KDM4E
SCHEMBL1967387 0.71 ADORA1 (0.45) ADORA1USP2SMN1; SMN2ESR2KDM4E
SCHEMBL123032 0.71 ESR2 (0.54) ADORA1USP2SMN1; SMN2ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3560927-B1 AZEPINE DERIVATIVES ACTING AS 5-HT7 RECEPTOR MODULATORS KOREA INST SCI & TECH (KR) 2023-04-19 EP disclosed
EP-3560927-A1 AZEPINE DERIVATIVE ACTING AS 5-HT7 RECEPTOR MODULATOR Korea Institute of Science and Technology (KR) 2019-10-30 EP disclosed
US-10435408-B2 Azepine derivatives as 5-HT7 receptor modulators KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-08 US disclosed
US-20180312509-A1 AZEPINE DERIVATIVES AS 5-HT7 RECEPTOR MODULATORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-11-01 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 (2 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-20180312509-A1 AZEPINE DERIVATIVES AS 5-HT7 RECEPTOR MODULATORS HTR7, HTR5A, HTR3A ADORA1 156/4885USP2 2832/4885SMN1; SMN2 433/4885
US-10435408-B2 Azepine derivatives as 5-HT7 receptor modulators HTR7, HTR5A, HTR3A ADORA1 156/4885USP2 2832/4885SMN1; SMN2 433/4885

“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.