SCHEMBL13677346

SCHEMBL13677346

CN1CCC2(CC1)CN(S(=O)(=O)C(F)(F)F)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 1/20 0.44
▸ NPY5R Q15761 16/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL17538381 0.86 NPY5R (0.43) NPY5R
SCHEMBL12153109 0.86 P2RY1 (0.46) P2RY1NPY5R
SCHEMBL6026997 0.83 NPY5R (0.58) NPY5R
SCHEMBL17969882 0.77 HTR6 (0.46) NPY5RHDAC1HDAC6
SCHEMBL25274233 0.77 MEN1 (0.51) NPY5RHDAC1HDAC6
SCHEMBL2883895 0.75 SLC18A3 (0.61) P2RY1HDAC1HDAC6
SCHEMBL26969745 0.74 HDAC1 (0.41) NPY5RHDAC1HDAC6
SCHEMBL13068280 0.74 AKT1 (0.49) P2RY1HDAC1HDAC6
SCHEMBL30425441 0.72 NOTUM (0.60) NPY5R
SCHEMBL13209364 0.72 SLC18A3 (0.45) P2RY1HDAC1HDAC6

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
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

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 P2RY1 4126/4885NPY5R 3939/4885HDAC1 298/4885

“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.

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