SCHEMBL5116668

SCHEMBL5116668

CCCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
LMNA P02545 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GLA P06280 1/20 0.54
EPHX2 P34913 3/20 0.54
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL17702625 0.75 KMT2A (0.70) KMT2ALMNAKDM4EEPHX2ALDH1A1
SCHEMBL10532396 0.75 EPHX2 (0.90) KMT2AEPHX2ALDH1A1FAAH
SCHEMBL15694051 0.74 KMT2A (0.65) KMT2ALMNAKDM4EALDH1A1HTT
SCHEMBL28292841 0.73 KMT2A (0.49) KMT2ALMNAKDM4EEPHX2ALDH1A1
SCHEMBL5406329 0.72 EPHX2 (0.59) KMT2ALMNAEPHX2ALDH1A1FAAH
SCHEMBL21019534 0.71 EPHX2 (0.97) KMT2AEPHX2FAAH
SCHEMBL14382350 0.71 GLA (0.63) KMT2ALMNAKDM4EGLAALDH1A1
SCHEMBL3854141 0.70 EPHX2 (0.62) KMT2ALMNAEPHX2ALDH1A1MEN1
SCHEMBL5678990 0.70 EPHX2 (0.62) KMT2ALMNAEPHX2ALDH1A1MEN1
SCHEMBL29092803 0.70 MAPT (0.73) KMT2ALMNAKDM4EALDH1A1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
EP-1474139-A4 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO INC (US) 2005-06-29 EP disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1474139-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA Merck & Co., Inc. (US) 2004-11-10 EP disclosed
WO-2003065983-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-08-14 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 (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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 KMT2A 2645/4885LMNA 2584/4885KDM4E 1589/4885

“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.