SCHEMBL3794863

SCHEMBL3794863

CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N3CCCC4CCCC=C43)cs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.38
PDE4B Q07343 1/20 0.38
HSD11B1 P28845 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
HTT P42858 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
NAMPT P43490 1/20 0.37
HPGD P15428 1/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3799198 0.89 HSD11B1 (0.41) ALDH1A1PDE4BHSD11B1HPGDMEN1
SCHEMBL3793168 0.86 HSD11B1 (0.40) KDM4EALDH1A1PDE4BHSD11B1HPGD
SCHEMBL3719394 0.85 HSD11B1 (0.38) HSD11B1
SCHEMBL3802525 0.84 HSD11B1 (0.39) ALDH1A1PDE4BHSD11B1HPGD
SCHEMBL3793163 0.84 HSD11B1 (0.38) PDE4BHSD11B1HPGD
SCHEMBL3793179 0.84 HSD11B1 (0.38) HSD11B1HPGD
SCHEMBL3794744 0.83 HSD11B1 (0.37) HSD11B1
SCHEMBL3795279 0.82 HSD11B1 (0.36) HSD11B1
SCHEMBL3795298 0.82 HSD11B1 (0.43) HSD11B1HPGD
SCHEMBL3796951 0.82 DRD2 (0.40) HSD11B1

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-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 KDM4E 2261/4885MAPT 583/4885THRB 712/4885

“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.