SCHEMBL13950171

SCHEMBL13950171

CC(C)N1CC[C@@H](c2ccccc2Cl)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.47
HTR2B P41595 1/20 0.42
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
HSD11B1 P28845 1/20 0.38
LDHA P00338 1/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL13950173 0.89 P2RX7 (0.40) HTR6HTR2BHSD11B1GRM2
SCHEMBL20780483 0.89 HTR6 (0.49) HTR6HTR2BCDK4CCND1LDHA
SCHEMBL13950174 0.86 HTR2B (0.38) HTR6HTR2B
SCHEMBL13950161 0.84 HTR2B (0.45) HTR2BHSD11B1
SCHEMBL13950164 0.83 HTR6 (0.42) HTR6HTR2BCDK4CCND1HSD11B1
SCHEMBL16181071 0.81 HTR6 (0.47) HTR6CDK4CCND1HSD11B1LDHA
SCHEMBL13950163 0.81 HTR6 (0.46) HTR6HTR2BHSD11B1GRM2
SCHEMBL13950176 0.80 GAA (0.41) HTR2B
SCHEMBL13950172 0.77 SRD5A1 (0.39) HTR2BCDK4CCND1HSD11B1GRM2
SCHEMBL17446671 0.77 HTR2B (0.39) HTR6HTR2BCDK4CCND1HSD11B1

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
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 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 4355/4885HTR2B 3816/4885CDK4 3847/4885

“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.