SCHEMBL2603246

SCHEMBL2603246

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
HCRTR2 O43614 7/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
DPP4 P27487 3/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
KMT2A Q03164 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL2603228 0.85 DPP4 (0.50) HCRTR2ALDH1A1DPP4PREPFAP
SCHEMBL2606195 0.83 NPC1 (0.59) HSD11B1ALDH1A1MAPTNPC1KMT2A
SCHEMBL2603262 0.81 TDP1 (0.43) HCRTR2DPP4KMT2ADPP7
SCHEMBL8283986 0.80 NPC1 (0.42) ALDH1A1NPC1KMT2A
SCHEMBL7919921 0.77 NPC1 (0.48) HCRTR2ALDH1A1MAPTNPC1KMT2A
SCHEMBL14147220 0.76 NPC1 (0.47) HSD11B1HCRTR2ALDH1A1NPC1KMT2A
SCHEMBL20614343 0.75 ITGB3 (0.45) ALDH1A1MAPTNPC1KMT2A
SCHEMBL23551094 0.74 NPC1 (0.46) ALDH1A1NPC1
SCHEMBL22874723 0.74 NPC1 (0.46) ALDH1A1MAPTNPC1KMT2A
SCHEMBL22874721 0.74 GNAI3 (0.57) MAPTNPC1KMT2AATM

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 HSD11B1 1/4885HCRTR2 595/4885ALDH1A1 361/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885HCRTR2 894/4885ALDH1A1 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.