SCHEMBL6766558

SCHEMBL6766558

[c]1nccnc1-c1ccc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
MTOR P42345 1/20 0.31
ADK P55263 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
AURKA O14965 1/20 0.30
KDR P35968 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
SCHEMBL6643401 0.75 NPC1 (0.39) AURKA
SCHEMBL451027 0.72 KDM4C (0.34) KDM4CCDK5CDK5R1AURKAKDR
SCHEMBL2411999 0.69 NISCH (0.42) TAAR1MTORADKNISCH
SCHEMBL3481734 0.69
SCHEMBL3981088 0.67 NISCH (0.54) KDM4CCDK5CDK5R1TAAR1ADRA1D
SCHEMBL559143 0.67 MTOR (0.39) CDK5CDK5R1TAAR1MTORADK
SCHEMBL442421 0.66 KDM4C (0.46) KDM4CCDK5CDK5R1ADRA1DADRA1A
SCHEMBL584984 0.66 KDM4E (0.31)
SCHEMBL1162842 0.65
SCHEMBL630634 0.65 HDAC6 (0.41) KDM4CCDK5CDK5R1AURKAKDR

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
US-20040023984-A1 Compounds for the treatment of alzheimer's disease BONNIE DAVIS 2004-02-05 US disclosed
US-6569848-B1 Analogs of galanthamine; cholinesterase inhibitors Davis, Bonnie 2003-05-27 US disclosed
US-6319919-B1 INHIBITING ACETYL CHOLINESTERASE ACTIVITY Davis, Bonnie 2001-11-20 US disclosed
US-6268358-B1 Compounds for the treatment of Alzheimer's disease Davis, Bonnie 2001-07-31 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-20040023984-A1 Compounds for the treatment of alzheimer's disease GALC, PSEN1, ACHE KDM4C 1710/4885CDK5 838/4885CDK5R1 1333/4885

“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.