SCHEMBL7228541

SCHEMBL7228541

Clc1ccc(-c2nc3ccccn3c2CCCN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
GAA P10253 2/20 0.58
SLC2A1 P11166 2/20 0.58
SLC2A2 P11168 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNK3 O14649 9/20 0.50
KCNK9 Q9NPC2 9/20 0.50
DRD4 P21917 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL6641241 0.92 KDM4E (0.54) KDM4EGAASLC2A1SLC2A2SIGMAR1
SCHEMBL7228643 0.88 KDM4E (0.64) KDM4EGAASLC2A1SLC2A2NPC1
SCHEMBL7231135 0.88 KDM4E (0.58) KDM4EGAASLC2A1SLC2A2SIGMAR1
SCHEMBL7223975 0.87 KDM4E (0.65) KDM4EGAASLC2A1NPC1POLB
SCHEMBL7231575 0.84 KDM4E (0.52) KDM4EGAASLC2A1SLC2A2NPC1
SCHEMBL1691920 0.77 KDM4E (0.63) KDM4EGAASLC2A1NPC1POLB
SCHEMBL16261618 0.76 KDM4E (0.68) KDM4EGAASLC2A1KCNK3KCNK9
SCHEMBL7222018 0.76 GABRA1 (0.59) KDM4EGAASLC2A1NPC1POLB
SCHEMBL17718915 0.74 SLC2A1 (0.78) SLC2A1
SCHEMBL6664782 0.74 SLC2A2 (0.66) KDM4EGAASLC2A1SLC2A2RAB9A

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 KDM4E 4232/4885GAA 255/4885SLC2A1 785/4885

“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.