SCHEMBL6459962

SCHEMBL6459962

CCOc1cc(CNC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
SSTR5 P35346 12/20 0.41
KMT2A Q03164 2/20 0.41
APP P05067 1/20 0.41
BCHE P06276 1/20 0.41
HRH1 P35367 2/20 0.41
HTR2B P41595 1/20 0.41
BACE1 P56817 1/20 0.39
KCNH2 Q12809 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6467019 0.94 ACHE (0.51) ACHEL3MBTL1KMT2AAPPBCHE
SCHEMBL6875258 0.94 ACHE (0.51) ACHEL3MBTL1KMT2AAPPBCHE
SCHEMBL6462622 0.90 SSTR5 (0.42) ACHESSTR5KMT2AHRH1HTR2B
SCHEMBL6462635 0.90 SSTR5 (0.42) ACHESSTR5KMT2AHRH1HTR2B
SCHEMBL6872857 0.89 ACHE (0.43) ACHEAPPBCHEHRH1HTR2B
SCHEMBL6463524 0.89 ACHE (0.43) ACHEAPPBCHEHRH1HTR2B
SCHEMBL6875190 0.89 ACHE (0.49) ACHESSTR5KMT2AAPPBCHE
SCHEMBL6875187 0.89 ACHE (0.49) ACHESSTR5KMT2AAPPBCHE
SCHEMBL6875018 0.87 ACHE (0.43) ACHEKMT2AAPPBCHEHRH1
SCHEMBL6873488 0.87 ACHE (0.51) ACHEAPPBCHEBACE1KCNH2

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ACHE 197/4885L3MBTL1 3949/4885SSTR5 47/4885

“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.