SCHEMBL2603256

SCHEMBL2603256

CC(C)C1CCN(C(=O)CCc2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
PARP14 Q460N5 1/20 0.48
POLB P06746 4/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
GRIN2B Q13224 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.43
C3AR1 Q16581 2/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL2603243 0.87 KDM4E (0.50) ALDH1A1POLBKDM4E
SCHEMBL21419789 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1PARP14POLBKDM4E
SCHEMBL2603229 0.81 NPC1 (0.42) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL13621172 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1PARP14POLBKDM4E
SCHEMBL2603249 0.80 POLB (0.68) ALDH1A1POLBGRIN2B
SCHEMBL1314176 0.80 NPC1 (0.58) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL13125273 0.79 POLB (0.54) ALDH1A1MAPK1POLBGAAGRIN2B
SCHEMBL25675998 0.79 NOS2 (0.54) ALDH1A1KDM4EGRIN2B
SCHEMBL2603241 0.78 POLB (0.50) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL1313679 0.78 FKBP1A (0.62) ALDH1A1MAPK1POLBKDM4E

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 ALDH1A1 361/4885MAPK1 517/4885PARP14 3594/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 ALDH1A1 285/4885MAPK1 477/4885PARP14 4204/4885

“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.