SCHEMBL9946557

SCHEMBL9946557

CN1CC[C@@H](c2ccccc2C(F)(F)F)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.43
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 2/20 0.40
HTR2A P28223 1/20 0.40
TP53 P04637 1/20 0.39
DRD3 P35462 1/20 0.37
GRM2 Q14416 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL15743997 0.86 HTR2C (0.41) RBP4GAATDP1HTR2CHTR2B
SCHEMBL13950176 0.83 GAA (0.41) RBP4GAATDP1HTR2CHTR2B
SCHEMBL16181047 0.81 HTR6 (0.42) GAAGRM2MEN1KMT2A
SCHEMBL16181048 0.80 HSD11B1 (0.40) HTR2CHTR2BHTR2A
SCHEMBL16181071 0.78 HTR6 (0.47) GAATP53KMT2A
SCHEMBL13970596 0.76 HTR6 (0.46) HTR2CMEN1KMT2A
SCHEMBL13395501 0.75 HTR2C (0.40) RBP4GAATDP1HTR2CHTR2B
SCHEMBL20794411 0.75 RBP4 (0.40) RBP4GAATDP1HTR2CHTR2B
SCHEMBL28170632 0.75 HTR2C (0.45) RBP4GAATDP1HTR2CHTR2B
SCHEMBL13547542 0.74 HTR2C (0.40) RBP4GAATDP1HTR2CHTR2B

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
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
EP-1973546-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP 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 RBP4 333/4885GAA 1578/4885TDP1 1624/4885

“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.