SCHEMBL2583702

SCHEMBL2583702

COC(=O)[C@H]1CC[C@H](c2ncc(C)o2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TRPV1 Q8NER1 4/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
AOC3 Q16853 2/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ENPP2 Q13822 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PAX8 Q06710 2/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 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
SCHEMBL2583705 1.00 KDM4E (0.41) KDM4ETRPV1PDGFRBPDGFRAAOC3
SCHEMBL2586987 0.83 DGAT1 (0.40) KDM4ETRPV1AOC3ALDH1A1KMT2A
SCHEMBL2586983 0.83 DGAT1 (0.40) KDM4ETRPV1AOC3ALDH1A1KMT2A
SCHEMBL2586384 0.81 TRPV1 (0.40) TRPV1AOC3KMT2ASMN1; SMN2PAX8
SCHEMBL2586380 0.81 TRPV1 (0.40) TRPV1AOC3KMT2ASMN1; SMN2PAX8
SCHEMBL18483387 0.80
SCHEMBL406879 0.79 CYP2C9 (0.56) KMT2APAX8CA12CA2CA9
SCHEMBL408805 0.79 CYP2C9 (0.56) KMT2APAX8CA12CA2CA9
SCHEMBL31503338 0.78 PDGFRB (0.38) KDM4ETRPV1PDGFRBPDGFRAKMT2A
SCHEMBL442998 0.78 PKM (0.41) KDM4EKMT2ASMN1; SMN2TP53

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 8 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
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
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 US disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 US 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 KDM4E 3114/4885TRPV1 834/4885PDGFRB 421/4885

“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.