SCHEMBL2538935

SCHEMBL2538935

COC(=O)[C@H]1CC[C@H](/C(=N/O)c2ncccc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CTSA P10619 2/20 0.36
HCRTR1 O43613 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM4 Q14833 4/20 0.35
KDM5A P29375 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GPR6 P46095 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
SCHEMBL2538938 1.00 KCNMA1 (0.38) KCNMA1KDM4ECTSAHCRTR1L3MBTL1
SCHEMBL2538940 1.00 KCNMA1 (0.38) KCNMA1KDM4ECTSAHCRTR1L3MBTL1
SCHEMBL2538932 1.00 KCNMA1 (0.38) KCNMA1KDM4ECTSAHCRTR1L3MBTL1
SCHEMBL2583774 1.00 KCNMA1 (0.38) KCNMA1KDM4ECTSAHCRTR1L3MBTL1
SCHEMBL2538915 0.84 SLC18A3 (0.41) KCNMA1KDM4ECTSAL3MBTL1ALDH1A1
SCHEMBL2538913 0.84 SLC18A3 (0.41) KCNMA1KDM4ECTSAL3MBTL1ALDH1A1
SCHEMBL2594258 0.79 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1
SCHEMBL2594252 0.79 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1
SCHEMBL2594255 0.79 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1
SCHEMBL2594251 0.79 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571879-B1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2571879-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011134877-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 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-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1B, AVPR1A, AVPR2 KCNMA1 427/4885KDM4E 4245/4885CTSA 1867/4885

“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.