SCHEMBL998095

SCHEMBL998095

COC(=O)c1cccc(NC(=O)N2CCc3nc4ncccc4cc3C2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
FAAH O00519 1/20 0.48
PDGFRB P09619 3/20 0.46
KDR P35968 1/20 0.44
THRB P10828 1/20 0.43
LMNA P02545 2/20 0.42
PDE10A Q9Y233 2/20 0.42
NAMPT P43490 2/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL998897 0.85 KDR (0.51) NPC1RAB9AFAAHPDGFRBKDR
SCHEMBL1079094 0.84 NPC1 (0.60) NPC1RAB9APDGFRBTHRBCASP3
SCHEMBL996805 0.81 PDGFRB (0.48) NPC1RAB9APDGFRBKDRPDE10A
SCHEMBL1818123 0.76 NPC1 (0.58) NPC1RAB9AFAAHPDGFRB
SCHEMBL19478547 0.74 RAB9A (0.64) NPC1RAB9ATHRBLMNANAMPT
SCHEMBL19472725 0.74 RAB9A (0.64) NPC1RAB9ATHRBLMNANAMPT
SCHEMBL13973176 0.71 RAB9A (0.59) NPC1RAB9ATHRBLMNACASP3
SCHEMBL5428368 0.70 RAB9A (0.49) NPC1RAB9AKDRTHRB
SCHEMBL23326841 0.69 RAB9A (0.70) NPC1RAB9APDGFRBTHRBNAMPT
SCHEMBL30682013 0.68 SCN10A (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS NPC1 707/4885RAB9A 2961/4885FAAH 1041/4885

“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.