SCHEMBL209678

SCHEMBL209678

CN1CCN(C(=O)c2ccc(-c3ccc(CC4CCN(C5CCCCC5)C4=O)c(C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KCNH2 Q12809 3/20 0.42
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
POLB P06746 1/20 0.41
HSD11B1 P28845 1/20 0.41
CHKA P35790 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE7A Q13946 2/20 0.38
EPHX2 P34913 1/20 0.38
ABL1 P00519 2/20 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
Trifluoroacetic Acid SCHEMBL15204212 0.97 POLB (0.41) HDAC4HDAC2HDAC8HDAC6KCNH2
SCHEMBL208882 0.91 HSD11B1 (0.39) HDAC4KCNH2BMPR1BBMPR1ATGFBR1
SCHEMBL209025 0.91 HSD11B1 (0.39) HDAC4KCNH2HSD11B1CHKAHRH3
SCHEMBL2723744 0.90 HSD11B1 (0.40) HDAC4HDAC6HSD11B1HPGDL3MBTL3
SCHEMBL2758204 0.90 PLA2G2A (0.39) HSD11B1HRH3ABL1BCR
SCHEMBL207094 0.90 HSD11B1 (0.41) HDAC4HSD11B1HPGDL3MBTL3L3MBTL1
SCHEMBL208962 0.90 KCNH2 (0.42) KCNH2HSD11B1L3MBTL1ABL1BCR
Trifluoroacetic Acid SCHEMBL15204183 0.88 HSD11B1 (0.39) HDAC4KCNH2POLBHSD11B1HRH3
Trifluoroacetic Acid SCHEMBL15204178 0.88 HSD11B1 (0.39) KCNH2POLBHSD11B1HRH3ABL1
SCHEMBL208896 0.88 PDE5A (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US claimed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US claimed
EP-2016047-B1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-08-28 EP disclosed
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US disclosed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US disclosed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 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-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 HDAC4 1077/4885HDAC2 575/4885HDAC8 1158/4885

“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.