SCHEMBL18889353

SCHEMBL18889353

CC(C)C(=O)N1CC[C@@H](C(C)C(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
DPP4 P27487 5/20 0.47
DPP7 Q9UHL4 5/20 0.47
KCNH2 Q12809 3/20 0.47
CYP2C19 P33261 2/20 0.47
CTSK P43235 1/20 0.46
CCR1 P32246 1/20 0.44
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.42
PREP P48147 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL24974014 0.90 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9ADPP4DPP7
SCHEMBL25090106 0.82 CHRM2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19CYP3A4
SCHEMBL13054327 0.80 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL28085540 0.79 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19CTSK
SCHEMBL14092284 0.79 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19CTSK
SCHEMBL32672825 0.79 CCR5 (0.55) SMN1; SMN2NPC1RAB9A
SCHEMBL24974571 0.79 HRH3 (0.49) SMN1; SMN2NPC1RAB9AKCNH2CYP2C19
SCHEMBL30401196 0.79 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6480129 0.79 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL10369008 0.79 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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-20170145028-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-25 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-20170145028-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 SMN1; SMN2 4796/4885NPC1 680/4885RAB9A 4480/4885

“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.