SCHEMBL2586842

SCHEMBL2586842

Cc1nsc(C2CCC(C(=O)NN)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
FABP4 P15090 5/20 0.34
FABP5 Q01469 5/20 0.34
AHR P35869 1/20 0.34
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL2586839 1.00 DPP4 (0.43) DPP4FABP4FABP5AHRRAB9A
SCHEMBL2589041 0.81 DPP4 (0.44) DPP4FABP4FABP5MEN1KMT2A
SCHEMBL2589043 0.81 DPP4 (0.44) DPP4FABP4FABP5MEN1KMT2A
SCHEMBL20320681 0.79
SCHEMBL2589270 0.77 FABP4 (0.36) FABP4FABP5AHRRAB9ANPC1
SCHEMBL2595496 0.77 NPC1 (0.48) AHRRAB9ANPC1MEN1KMT2A
SCHEMBL2589267 0.77 FABP4 (0.36) FABP4FABP5AHRRAB9ANPC1
SCHEMBL2595498 0.77 NPC1 (0.48) AHRRAB9ANPC1MEN1KMT2A
SCHEMBL2588367 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2588368 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1

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-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 (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-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR DPP4 3272/4885FABP4 3645/4885FABP5 3407/4885

“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.