SCHEMBL5636348

SCHEMBL5636348

NNC(=O)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.68
HSD11B1 P28845 8/20 0.58
FFAR2 O15552 3/20 0.53
HDAC1 Q13547 1/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5636847 0.95 HDAC4 (0.71) HDAC4HSD11B1FFAR2HDAC1LMNA
SCHEMBL1099903 0.93 HDAC4 (0.62) HDAC4HSD11B1FFAR2HDAC1LMNA
SCHEMBL5639340 0.83 HDAC4 (0.68) HDAC4HSD11B1FFAR2HDAC1LMNA
SCHEMBL5638369 0.83 HDAC1 (0.52) HDAC4HSD11B1FFAR2HDAC1LMNA
SCHEMBL14587280 0.83 MAPT (0.51) HDAC4HSD11B1LMNAALDH1A1KDM4E
SCHEMBL15143203 0.83 HDAC1 (0.54) HDAC4HSD11B1FFAR2HDAC1LMNA
SCHEMBL5637562 0.82 HDAC4 (0.66) HDAC4HSD11B1HDAC1LMNAALDH1A1
SCHEMBL1003298 0.82 HDAC4 (0.50) HDAC4HSD11B1FFAR2HDAC1LMNA
SCHEMBL12020374 0.82 HDAC4 (0.50) HDAC4HSD11B1FFAR2HDAC1LMNA
SCHEMBL1794 0.82 AKR1C1 (0.62) HDAC4HSD11B1FFAR2HDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532122-B1 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
EP-1532122-B1 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
EP-1532122-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA Merck & Co., Inc. (US) 2005-05-25 EP disclosed
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME LLC 2004-06-03 US disclosed
US-6730690-B2 DELAYING THE ONSET OR REDUCING THE RISK OF DEVELOPING ATHEROSCLEROSIS IN A HUMAN PATIENT COMPRISING ADMINISTERING TO SAID PATIENT AN EFFECTIVE AMOUNT OF A COMPOUND OF INVENTION AND AN HMG-COA REDUCTASE INHIBITOR MERCK & CO., INC. 2004-05-04 US disclosed
US-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK SHARP & DOHME LLC 2004-03-11 US disclosed
WO-2003104208-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 WO disclosed
WO-2003104207-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 WO 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 (2 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-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA HSD11B1, HSD17B1, HSD11B2 HDAC4 1252/4885HSD11B1 1/4885FFAR2 946/4885
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD11B2, HSD17B1 HDAC4 1567/4885HSD11B1 1/4885FFAR2 871/4885

“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.