SCHEMBL4536685

SCHEMBL4536685

CCC(c1ccccc1)(c1ccccc1)c1nnc2n1CCCCCC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HPGD P15428 7/20 0.50
HSD11B1 P28845 4/20 0.46
HSD11B2 P80365 3/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SHMT2 P34897 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL4565250 0.86 POLB (0.46) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4536746 0.85 POLB (0.50) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4538193 0.82 HPGD (0.55) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4539384 0.81 HPGD (0.54) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4540694 0.81 HPGD (0.57) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4530372 0.80 POLB (0.48) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4539612 0.75 POLB (0.48) POLBHPGDHSD11B1HSD11B2LMNA
Trifluoroacetic Acid SCHEMBL5636669 0.73 HPGD (0.42) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL14587256 0.72 POLB (0.51) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL14587260 0.72 POLB (0.51) POLBHPGDHSD11B1HSD11B2LMNA

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 6 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
WO-2009073460-A2 INHIBITION OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 FOR OCULAR NEUROPROTECTION BAUSCH & LOMB INCORPORATED (US) 2009-06-11 WO 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
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

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-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD11B2, HSD17B1 POLB 1961/4885HPGD 89/4885HSD11B1 1/4885

“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.