SCHEMBL6645210

SCHEMBL6645210

Cc1ccc(C(=O)Nc2ccnc(CCN(C(=O)OC(C)(C)C)c3ccccc3)c2)c(OC(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.37
BACE1 P56817 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GRM4 Q14833 4/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
SORT1 Q99523 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
OPRL1 P41146 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL6645205 0.89 HCRTR1 (0.37) F2NPC1RAB9AGRM4ITGB1
SCHEMBL6645223 0.88 F2 (0.39) F2BACE1NPC1RAB9AGRM4
SCHEMBL6644201 0.87 F2 (0.38) F2BACE1NPC1RAB9AGRM4
SCHEMBL6646586 0.83 SCN10A (0.47) MEN1KMT2A
SCHEMBL6644728 0.82 SCN10A (0.40) F2
SCHEMBL6796112 0.81 MEN1 (0.41) F2BACE1GRM4AURKARPS6KB1
SCHEMBL6645327 0.80 ALDH1A1 (0.43) F2BACE1NPC1GRM4MEN1
SCHEMBL6648457 0.79 F2 (0.40) F2BACE1GRM4AURKARPS6KB1
SCHEMBL6795028 0.78 BACE1 (0.41) F2BACE1ITGB1ITGA4AURKA
SCHEMBL6795031 0.76 SMO (0.40) F2OPRL1

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR F2 1415/4885BACE1 269/4885NPC1 34/4885

“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.