SCHEMBL5596700

SCHEMBL5596700

c1ccc(CNC2CCC(CN3CCc4cncc5cccc3c45)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.41
ACHE P22303 6/20 0.39
BACE1 P56817 6/20 0.39
BCHE P06276 4/20 0.39
CCNT1 O60563 1/20 0.37
CXCR4 P61073 1/20 0.36
DRD4 P21917 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
VCP P55072 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
SCHEMBL5419721 0.84 GRIN2B (0.42) GRIN2BACHEBACE1BCHECCNT1
SCHEMBL14594174 0.84 GRIN2B (0.42) GRIN2BACHEBACE1BCHECCNT1
SCHEMBL5419726 0.84 GRIN2B (0.42) GRIN2BACHEBACE1BCHECCNT1
SCHEMBL5596733 0.81 NOTUM (0.35) MEN1KMT2A
SCHEMBL5596416 0.79 NOTUM (0.37) MEN1KMT2A
SCHEMBL5596331 0.79 ROCK2 (0.38) CXCR4ROCK2ROCK1
SCHEMBL5596755 0.74 NOTUM (0.32) GRIN2B
SCHEMBL5596616 0.74 CXCR4 (0.42) CXCR4DRD4
SCHEMBL5596769 0.72 MEN1 (0.43) MEN1KMT2A
SCHEMBL5419864 0.71 ADRA1B (0.42) ACHE

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 GRIN2B 2364/4885ACHE 1009/4885BACE1 4747/4885

“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.