SCHEMBL2603233

SCHEMBL2603233

CC(C)C1CCN(C(=O)CCN2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD11B1 P28845 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 1/20 0.41
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL26494075 0.92 NPC1 (0.44) ELANEPOLBHSD11B1HTTNPC1
SCHEMBL2603225 0.91 L3MBTL1 (0.49) ELANEMAPTPOLBL3MBTL1MEN1
SCHEMBL25075495 0.86 NPC1 (0.42) ELANEMAPTALDH1A1POLBL3MBTL1
SCHEMBL26494345 0.84 NPC1 (0.41) ELANEMAPTALDH1A1POLBMEN1
SCHEMBL25075118 0.84 NPC1 (0.41) ELANEMAPTALDH1A1POLBMEN1
SCHEMBL25075107 0.84 NPC1 (0.41) ELANEMAPTALDH1A1POLBMEN1
SCHEMBL8433044 0.83 HSD11B1 (0.48) ELANEMAPTALDH1A1POLBL3MBTL1
SCHEMBL25075204 0.83 NPC1 (0.50) MAPTPOLBL3MBTL1MEN1KMT2A
SCHEMBL25075447 0.82 NPC1 (0.41) ELANEALDH1A1POLBHSD11B1HTT
SCHEMBL8283985 0.82 GAA (0.58) MAPTALDH1A1MEN1KMT2ATSHR

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 3 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 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 (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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 ELANE 3405/4885MAPT 799/4885ALDH1A1 361/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 ELANE 3254/4885MAPT 583/4885ALDH1A1 285/4885

“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.