SCHEMBL13676897

SCHEMBL13676897

CC(C)C(=O)COC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GRIN2B Q13224 9/20 0.49
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 3/20 0.46
LNPEP Q9UIQ6 1/20 0.46
FAAH O00519 1/20 0.45
ENPP2 Q13822 1/20 0.45

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
SCHEMBL13677224 0.86 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL77520 0.86 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL4111065 0.84 HTT (0.65) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL19023351 0.84 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL12425238 0.84 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL79421 0.83 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL2009867 0.83 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL13676896 0.83 GAA (0.59) SMN1; SMN2NPC1RAB9ACYP2D6CYP3A4
SCHEMBL19023194 0.83 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL19022988 0.82 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AHTT

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
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 SMN1; SMN2 4780/4885CYP2C19 1175/4885NPC1 6/4885

“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.