SCHEMBL5596149

SCHEMBL5596149

O=C1CCC(CN2CCc3cnc(Cl)c4cccc2c34)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
SCN9A Q15858 2/20 0.33
GRM5 P41594 3/20 0.32
KCNH2 Q12809 1/20 0.32
GRM2 Q14416 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
JAK2 O60674 3/20 0.31
PKM P14618 2/20 0.31
DRD2 P14416 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
CDK9 P50750 2/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL5596271 0.87 DRD2 (0.35) NOTUMSCN9AKCNH2GRM2TRPM5
SCHEMBL5596620 0.87 DRD2 (0.39) NOTUMTRPM5JAK2DRD2CDK9
SCHEMBL5596727 0.81 SCN9A (0.39) NOTUMSCN9AJAK2PKMALDH1A1
SCHEMBL5596416 0.78 NOTUM (0.37) NOTUMSCN9AGRM5KCNH2GRM2
SCHEMBL5596769 0.76 MEN1 (0.43) KCNH2ALDH1A1
SCHEMBL5596996 0.73 HTR6 (0.36) NOTUMJAK2DRD2CDK9JAK1
SCHEMBL5415234 0.72 HTR1A (0.41) DRD2
SCHEMBL5596752 0.71 PTPN11 (0.34) DRD2
SCHEMBL5417889 0.70 ADRA1B (0.40) DRD2HRH3ALDH1A1
SCHEMBL5414854 0.70 ACHE (0.40) DRD2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A NOTUM 4510/4885SCN9A 1303/4885GRM5 3268/4885

“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.