SCHEMBL25653356

SCHEMBL25653356

CC(C)c1cc(N2CCN(CCF)CC2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.49
▸ HRH4 Q9H3N8 3/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ KIT P10721 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ HRH2 P25021 1/20 0.36

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
SCHEMBL25653338 0.87 LRRK2 (0.47) LRRK2HRH4HRH3
SCHEMBL11960312 0.86 LRRK2 (0.48) LRRK2
SCHEMBL11960308 0.82 HRH4 (0.53) HRH4HRH3HRH2
SCHEMBL25951462 0.81 LRRK2 (0.47) LRRK2HRH4HRH3KITFLT3
SCHEMBL11960323 0.78 SMN1; SMN2 (0.46) LRRK2HRH4HRH3
SCHEMBL13034784 0.77 SMN1; SMN2 (0.49) LRRK2HRH4HRH3
SCHEMBL16903679 0.76 LRRK2 (0.44) LRRK2
SCHEMBL10223327 0.74 CYP2C19 (0.58) LRRK2
SCHEMBL11981505 0.74 LRRK2 (0.46) LRRK2KIT
SCHEMBL11960332 0.72 LRRK2 (0.43) LRRK2HRH4HRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2023-06-15 — — 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-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 LRRK2 1/4885HRH4 4444/4885HRH3 2561/4885

“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.

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