SCHEMBL2603305

SCHEMBL2603305

CC(C)N1CCOCC1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ATM Q13315 2/20 0.35
PRCP P42785 2/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ACHE P22303 1/20 0.34
LTA4H P09960 2/20 0.34
CACNA1H O95180 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MGAT2 Q10469 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL2603317 0.84 PIK3C3 (0.41) ATMLTA4H
SCHEMBL22213815 0.84 PIK3C3 (0.41) ATMLTA4H
SCHEMBL18913836 0.84 PIK3C3 (0.41) ATMLTA4H
SCHEMBL4105231 0.82 PIK3C3 (0.43) HDAC1HDAC8HDAC6KDM4EMAOA
SCHEMBL4096640 0.81 PIK3C3 (0.43)
SCHEMBL2606078 0.79 ATR (0.40) HDAC1HDAC8HDAC6ATMKDM4E
SCHEMBL27367885 0.79 ATR (0.40) HDAC1HDAC8HDAC6ATMKDM4E
SCHEMBL23995525 0.76 TRPA1 (0.49) HRH3ATMTRPA1
SCHEMBL2603298 0.76 TRPA1 (0.49) HRH3ATMTRPA1
SCHEMBL29138862 0.75 HDAC1 (0.38) HDAC1HDAC8HDAC6ATMKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HRH3 3373/4885HDAC1 50/4885HDAC8 328/4885

“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.