SCHEMBL7231287

SCHEMBL7231287

O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 16/20 0.65
▸ KCNK9 Q9NPC2 16/20 0.65
▸ KDM4E B2RXH2 3/20 0.60
▸ SLC2A1 P11166 2/20 0.58
▸ GAA P10253 1/20 0.58

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
SCHEMBL7223975 0.83 KDM4E (0.65) KCNK3KCNK9KDM4ESLC2A1GAA
SCHEMBL22364213 0.83 KCNK3 (0.76) KCNK3KCNK9KDM4ESLC2A1GAA
SCHEMBL7228643 0.80 KDM4E (0.64) KCNK3KCNK9KDM4ESLC2A1GAA
SCHEMBL18952321 0.79 KCNK3 (0.93) KCNK3KCNK9
SCHEMBL13234 0.79 GABRA2 (0.63) KCNK3KCNK9KDM4E
SCHEMBL18963165 0.78 KCNK3 (1.00) KCNK3KCNK9SLC2A1
SCHEMBL18963135 0.78 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL18963162 0.78 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL18952242 0.78 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL18963158 0.77 KCNK3 (1.00) KCNK3KCNK9

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
US-6514969-B2 Alzheimer's diseas, Parkinson disease, Huntington disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-04 — — US disclosed
US-20020042420-A1 Beta-amyloid inhibitors, processes for preparing them, and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-11 — — 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-20020042420-A1 Beta-amyloid inhibitors, processes for preparing them, and their use in pharmaceutical compositions HTT, APP, BACE1 KCNK3 1661/4885KCNK9 2295/4885KDM4E 4232/4885

“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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