SCHEMBL19012736

SCHEMBL19012736

CCc1ccc(N2CC(C)N(C(C)=O)C(C(C)(C)O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRM2 P08172 1/20 0.35
CCR1 P32246 1/20 0.35

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
SCHEMBL19012630 0.87 MAPT (0.46) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL25840429 0.87 MAPT (0.46) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL19012592 0.86 GPR119 (0.37) MAPTKDM4EGAAALDH1A1ALOX15
SCHEMBL18436356 0.85 USP2 (0.41) MAPTALDH1A1ALOX12MAPK1HSD17B10
SCHEMBL19012741 0.85 ACACB (0.41) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL19012695 0.83 KDM4E (0.40) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL20034286 0.82 LMNA (0.37) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL19012769 0.77 KDM4E (0.41) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL19012629 0.77 GPR119 (0.41) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL19012398 0.75 KDM4E (0.44) MAPTKDM4EGAAALDH1A1MEN1

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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH MAPT 4195/4885KDM4E 415/4885GAA 2952/4885

“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.