SCHEMBL2603243

SCHEMBL2603243

CC(C)C1CCN(C(=O)Cc2ccccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CNR1 P21554 1/20 0.49
EPHX2 P34913 1/20 0.48
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM1A O60341 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOS2 P35228 1/20 0.43
KDR P35968 1/20 0.42
POLB P06746 2/20 0.42
NAMPT P43490 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
SCHEMBL2603256 0.87 ALDH1A1 (0.51) KDM4EALDH1A1POLB
SCHEMBL13826420 0.85 EPHX2 (0.54) KDM4EALDH1A1CNR1EPHX2FNTA
SCHEMBL16002869 0.82 EPHX2 (0.56) KDM4EALDH1A1CNR1EPHX2FNTA
SCHEMBL18705021 0.81 KDM4E (0.55) KDM4EALDH1A1CNR1FNTAFNTB
SCHEMBL25675998 0.81 NOS2 (0.54) KDM4EALDH1A1SMN1; SMN2NOS2
SCHEMBL13125273 0.81 POLB (0.54) ALDH1A1EPHX2SMN1; SMN2POLB
SCHEMBL10572949 0.80 ALDH1A1 (0.56) KDM4EALDH1A1CNR1EPHX2SIGMAR1
SCHEMBL13118001 0.80 KDM4E (0.64) KDM4EALDH1A1CNR1FNTAFNTB
SCHEMBL17937010 0.79 ALDH1A1 (0.59) KDM4EALDH1A1CNR1EPHX2FNTA
SCHEMBL22875382 0.79 L3MBTL1 (0.66) KDM4EALDH1A1L3MBTL1SMN1; SMN2POLB

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
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-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-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 KDM4E 3805/4885ALDH1A1 361/4885CNR1 2003/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 KDM4E 2261/4885ALDH1A1 285/4885CNR1 1827/4885

“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.