SCHEMBL2603262

SCHEMBL2603262

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
HCRTR2 O43614 8/20 0.43
KMT2A Q03164 1/20 0.39
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
CYP2C19 P33261 1/20 0.37
F10 P00742 1/20 0.37
CHRM1 P11229 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2606068 0.84 ALDH1A1 (0.45) TDP1KMT2ACYP2C19
SCHEMBL2603246 0.81 HSD11B1 (0.43) HCRTR2KMT2ADPP4DPP7
SCHEMBL2603264 0.80 HCRTR2 (0.45) TDP1HCRTR2KMT2ACYP2C19CHRM1
SCHEMBL13107150 0.78 KMT2A (0.64) HCRTR2KMT2ACYP2C19HTT
SCHEMBL2603261 0.78 HTT (0.45) TDP1HCRTR2KMT2ACYP2C19HTT
SCHEMBL2603228 0.78 DPP4 (0.50) HCRTR2DPP4
SCHEMBL2603259 0.78 KMT2A (0.42) TDP1KMT2ACYP2C19HTT
SCHEMBL2603258 0.77 HCRTR2 (0.48) TDP1HCRTR2KMT2ACYP2C19HTT
SCHEMBL24474332 0.75 KMT2A (0.46) HCRTR2KMT2ACYP2C19HTT
SCHEMBL26228168 0.73 KMT2A (0.43) HCRTR2KMT2ACYP2C19HTT

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 4 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
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 TDP1 1457/4885HCRTR2 595/4885KMT2A 2032/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 TDP1 643/4885HCRTR2 894/4885KMT2A 2185/4885

“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.