SCHEMBL2584012

SCHEMBL2584012

COC(=O)C1CCC(c2nc(C)no2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
HSD11B1 P28845 2/20 0.40
CCR5 P51681 1/20 0.39
SMYD3 Q9H7B4 2/20 0.39
FAAH O00519 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
ADORA1 P30542 1/20 0.36
CHRM2 P08172 1/20 0.36
OGA O60502 1/20 0.35

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
SCHEMBL2584008 1.00 EPHX2 (0.42) EPHX2HSD11B1CCR5SMYD3FAAH
SCHEMBL16104497 0.84 SMYD3 (0.38) SMYD3ADORA1
SCHEMBL22628906 0.83 EPHX2 (0.44) EPHX2HSD11B1CCR5SMYD3FAAH
SCHEMBL2585944 0.81 CCR5 (0.43) EPHX2HSD11B1CCR5SMYD3FAAH
SCHEMBL2585948 0.81 CCR5 (0.43) EPHX2HSD11B1CCR5SMYD3FAAH
SCHEMBL2307422 0.80
SCHEMBL22629613 0.79 SMYD3 (0.49) EPHX2HSD11B1CCR5SMYD3ADORA1
SCHEMBL22629906 0.78 EPHX2 (0.41) EPHX2HSD11B1CCR5SMYD3FAAH
SCHEMBL22629018 0.77 KDM1A (0.44) EPHX2HSD11B1CCR5ADORA1CHRM2
SCHEMBL4529230 0.76 CYP1A2 (0.60) EPHX2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A EPHX2 1598/4885HSD11B1 340/4885CCR5 3082/4885
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR EPHX2 3670/4885HSD11B1 286/4885CCR5 481/4885

“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.