SCHEMBL13970596

SCHEMBL13970596

COc1ccccc1[C@@H]1CCN(C)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
DRD2 P14416 1/20 0.45
CYP19A1 P11511 2/20 0.44
HSD11B1 P28845 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TSHR P16473 1/20 0.42
HTR2C P28335 2/20 0.41
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL13950163 0.82 HTR6 (0.46) HTR6DRD2CYP19A1HSD11B1MEN1
SCHEMBL16181048 0.81 HSD11B1 (0.40) HSD11B1HTR2C
SCHEMBL16181071 0.79 HTR6 (0.47) HTR6HSD11B1KMT2A
SCHEMBL16181047 0.79 HTR6 (0.42) HTR6CYP19A1HSD11B1MEN1KMT2A
SCHEMBL9946557 0.76 RBP4 (0.43) MEN1KMT2AHTR2C
SCHEMBL7963965 0.76 PDE4A (0.50) NR3C1
SCHEMBL10569317 0.76 CYP19A1 (0.48) HTR6CYP19A1HSD11B1MEN1KMT2A
SCHEMBL26410230 0.76 CYP19A1 (0.48) HTR6CYP19A1HSD11B1MEN1KMT2A
SCHEMBL16181053 0.74 HTR6 (0.38) HTR6DRD2HSD11B1KMT2ATSHR
SCHEMBL6584136 0.74 PDE4B (0.40) HTR6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 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-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP HTR6 4355/4885DRD2 4849/4885CYP19A1 714/4885

“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.