SCHEMBL6468950

SCHEMBL6468950

CC(C)CNCc1cnc(N)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
MAP4K4 O95819 2/20 0.33
F2 P00734 3/20 0.32
CA2 P00918 3/20 0.32
IDO1 P14902 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
IDH1 O75874 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 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
SCHEMBL5132531 0.82 MEN1 (0.42) MEN1KMT2ACYP1A2F2HRH4
SCHEMBL14279028 0.81 OPRM1 (0.39) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL6468945 0.78 SIRT6 (0.42) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL807843 0.76 MEN1 (0.49) MEN1KMT2AF2
SCHEMBL6470756 0.76 MEN1 (0.40) MEN1KMT2AALDH1A1F2
SCHEMBL6468988 0.75 TLR7 (0.44) MEN1KMT2ACYP1A2CYP2C19F2
SCHEMBL18236777 0.74 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19OPRM1OPRK1
SCHEMBL16346569 0.74 NOS2 (0.47) MEN1KMT2AALOX5APFEN1MAP4K4
SCHEMBL6468946 0.74 MEN1 (0.41) MEN1KMT2AOPRM1OPRK1F2
SCHEMBL25237993 0.71 OPRM1 (0.43) MEN1KMT2AALDH1A1CYP1A2CYP2C19

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA MEN1 978/4885KMT2A 2085/4885ALDH1A1 2820/4885

“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.