SCHEMBL2541871

SCHEMBL2541871

COC(=O)C1CCC(C(=O)c2cccnc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
KCNMA1 Q12791 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2541869 1.00 CYP2C19 (0.52) CYP2C19SMN1; SMN2LMNAALDH1A1CASP3
SCHEMBL8828626 0.88 SMN1; SMN2 (0.59) CYP2C19SMN1; SMN2LMNAALDH1A1CASP3
SCHEMBL2546125 0.84 CYP2C19 (0.48) CYP2C19SMN1; SMN2LMNAALDH1A1CASP3
SCHEMBL2546116 0.84 CYP2C19 (0.48) CYP2C19SMN1; SMN2LMNAALDH1A1CASP3
SCHEMBL2546124 0.84 CYP2C19 (0.48) CYP2C19SMN1; SMN2LMNAALDH1A1CASP3
SCHEMBL2546121 0.84 CYP2C19 (0.48) CYP2C19SMN1; SMN2LMNAALDH1A1CASP3
SCHEMBL2587998 0.84 CYP2C19 (0.48) CYP2C19SMN1; SMN2LMNAALDH1A1CASP3
SCHEMBL8183855 0.81 SMN1; SMN2 (0.54) CYP2C19SMN1; SMN2LMNAALDH1A1CASP3
SCHEMBL12261625 0.81 IDO1 (0.44) CYP2C19SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2538913 0.75 SLC18A3 (0.41) ALDH1A1L3MBTL1KCNMA1KDM4E

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 CYP2C19 321/4885SMN1; SMN2 4038/4885LMNA 4131/4885

“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.