SCHEMBL5596416

SCHEMBL5596416

O=C1CCC(CN2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
GRM5 P41594 4/20 0.34
SCN9A Q15858 2/20 0.32
GRM2 Q14416 5/20 0.32
KCNH2 Q12809 3/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CDK4 P11802 1/20 0.31
ALOX15 P16050 1/20 0.31
CCND1 P24385 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5596733 0.86 NOTUM (0.35) NOTUMGRM5SCN9ADRD2TAAR1
SCHEMBL5596331 0.86 ROCK2 (0.38) NOTUMDRD2HTR6TAAR1
SCHEMBL5419864 0.81 ADRA1B (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5596755 0.81 NOTUM (0.32) NOTUMCYP11B1CYP11B2ALDH1A1
SCHEMBL5412476 0.81 ACHE (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5930828 0.81 KDM4E (0.32) CYP11B1CYP11B2
SCHEMBL5597062 0.79 SCN9A (0.38) NOTUMSCN9ACYP11B1CYP11B2HTR2A
SCHEMBL5596700 0.79 GRIN2B (0.41) MEN1KMT2A
SCHEMBL5596409 0.78 GPR119 (0.45) CYP11B2
SCHEMBL5596149 0.78 NOTUM (0.35) NOTUMGRM5SCN9AGRM2KCNH2

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 4510/4885GRM5 3268/4885SCN9A 1303/4885

“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.