SCHEMBL19691065

SCHEMBL19691065

CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Nc3ccc(F)cc3F)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
GBA1 P04062 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
ALK Q9UM73 6/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
OPRM1 P35372 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL19690860 0.92 HTT (0.43) HTTGBA1MAPTALKSMN1; SMN2
SCHEMBL19690913 0.87 HTT (0.48) HTTGBA1MAPTALKKDM4E
SCHEMBL19691073 0.85 SMN1; SMN2 (0.41) HTTGBA1MAPTTP53ALK
SCHEMBL19708901 0.85 SMN1; SMN2 (0.56) HTTMAPTKDM4ENPC1RAB9A
SCHEMBL19691022 0.85 ADORA2A (0.55) GBA1MAPTADORA2AADORA1
SCHEMBL19691074 0.84 AURKA (0.48) HTTGBA1MAPTSMN1; SMN2ABCG2
SCHEMBL19690986 0.84 GBA1 (0.44) HTTGBA1MAPTSMN1; SMN2ABCG2
SCHEMBL19690893 0.83 AURKA (0.47) HTTGBA1ALKSMN1; SMN2ADORA2A
SCHEMBL19690935 0.80 FPR2 (0.45) HTTMAPTTP53KDM4ENPC1
SCHEMBL19690863 0.79 SMN1; SMN2 (0.40) HTTMAPTTP53SMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 HTT 1113/4885GBA1 466/4885MAPT 1877/4885

“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.