SCHEMBL13950175

SCHEMBL13950175

CC(C)N1CC[C@@H](c2cc(Cl)cc(Cl)c2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ F11 P03951 1/20 0.34
▸ FADS1 O60427 2/20 0.34
▸ ADAM17 P78536 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MDM2 Q00987 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CDK4 P11802 2/20 0.31
▸ CCND1 P24385 2/20 0.31

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
SCHEMBL13950170 0.88 HTR6 (0.45) HSD11B1HTR2BF11FADS1HTR6
SCHEMBL13950172 0.87 SRD5A1 (0.39) HSD11B1HTR2BFADS1MDM2CDK4
SCHEMBL13950167 0.82 HSD11B1 (0.36) HSD11B1HTR2BFADS1
SCHEMBL13970638 0.81 HSD11B1 (0.38) HSD11B1TTRFADS1ADAMTS5ATM
SCHEMBL13950169 0.80 HSD11B1 (0.39) HSD11B1HTR2BFADS1
SCHEMBL13950174 0.79 HTR2B (0.38) HTR2BFADS1HTR6
SCHEMBL13950177 0.78 CETP (0.42) HSD11B1HTR2B
SCHEMBL13950166 0.78 FADS1 (0.49) HSD11B1HTR2BFADS1
SCHEMBL13950165 0.78 FADS1 (0.49) HSD11B1HTR2BFADS1
SCHEMBL13950162 0.77 HSD11B1 (0.56) HSD11B1HTR2BADAM17ADAMTS5CDK4

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 HSD11B1 147/4885HTR2B 3816/4885TTR 593/4885

“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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