SCHEMBL5596683

SCHEMBL5596683

Clc1ncc2c3c(cccc13)N(CC1CCC3(CC1)OCCO3)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.35
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CDK9 P50750 1/20 0.32
NOTUM Q6P988 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CACNB4 O00305 1/20 0.30
CACNA1A O00555 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNG3 O60359 1/20 0.30
CACNA1F O60840 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNB3 P54284 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CACNG7 P62955 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNB1 Q02641 1/20 0.30
CACNG1 Q06432 1/20 0.30
CACNB2 Q08289 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
SCHEMBL5596986 0.82 C5AR1 (0.39) C5AR1GRIN1GRIN2B
SCHEMBL5596149 0.82 NOTUM (0.35) CDK9NOTUMHRH3
SCHEMBL5596271 0.82 DRD2 (0.35) CDK9NOTUMHRH3
SCHEMBL5596620 0.82 DRD2 (0.39) CDK9NOTUM
SCHEMBL5596483 0.82 C5AR1 (0.35) C5AR1HRH3CACNB4CACNA1ACACNA1G
SCHEMBL5596755 0.81 NOTUM (0.32) C5AR1GRIN1GRIN2BNOTUM
SCHEMBL5596666 0.77 NOTUM (0.33) NOTUM
SCHEMBL5596769 0.72 MEN1 (0.43)
SCHEMBL5596996 0.72 HTR6 (0.36) CDK9NOTUM
SCHEMBL5596688 0.71 PARP1 (0.37) C5AR1GRIN1GRIN2B

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-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
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 C5AR1 340/4885GRIN1 798/4885GRIN2B 2364/4885

“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.