SCHEMBL20547148

SCHEMBL20547148

CC(C)(C)OC(=O)N1CCc2c(OS(=O)(=O)C(F)(F)F)nn(C(=O)OC(C)(C)C)c2CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
ADORA1 P30542 1/20 0.37
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
STS P08842 3/20 0.34
GPR119 Q8TDV5 5/20 0.34
F12 P00748 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL2075466 0.81 STS (0.42) RORCSTSGPR119
SCHEMBL2076671 0.78 ADORA1 (0.37) ADORA1USP2SMN1; SMN2STSGPR119
SCHEMBL4192572 0.75 CCNA2 (0.39) ADORA1USP2SMN1; SMN2STSGPR119
SCHEMBL16037196 0.75 ADORA1 (0.35) RORCADORA1GPR119F12ESR2
SCHEMBL29689494 0.75 ADORA1 (0.41) ADORA1F12PARP1TNKS2PARP2
SCHEMBL2073728 0.75 ADORA1 (0.36) ADORA1USP2SMN1; SMN2STSGPR119
SCHEMBL16033804 0.74 ADORA1 (0.40) ADORA1GPR119PARP1TNKS2PARP2
SCHEMBL22011297 0.74 PARP1 (0.41) ADORA1GPR119F12PARP1TNKS2
SCHEMBL30776238 0.74 PARP1 (0.41) ADORA1GPR119F12PARP1TNKS2
SCHEMBL2075868 0.74 ADORA1 (0.36) ADORA1USP2SMN1; SMN2STSGPR119

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 RORC 1569/4885ADORA1 156/4885USP2 2832/4885
US-10435408-B2 Azepine derivatives as 5-HT7 receptor modulators HTR7, HTR5A, HTR3A RORC 1569/4885ADORA1 156/4885USP2 2832/4885

“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.