SCHEMBL2603322

SCHEMBL2603322

CC(C)N1CCCC(c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
ESRRB O95718 3/20 0.51
ESR1 P03372 3/20 0.51
ESRRG P62508 3/20 0.51
HRH3 Q9Y5N1 2/20 0.45
CCR1 P32246 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CCR5 P51681 1/20 0.40
ATM Q13315 1/20 0.40
ENPP2 Q13822 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CCR2 P41597 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL2603274 0.93 ESRRG (0.55) KCNH2ESRRBESR1ESRRGHRH3
SCHEMBL2603275 0.87 DRD2 (0.53) KCNH2ESRRBESR1ESRRGHRH3
SCHEMBL2603286 0.83 KCNH2 (0.47) KCNH2ESRRBESR1ESRRGHRH3
SCHEMBL23993613 0.83 KCNH2 (0.47) KCNH2ESRRBESR1ESRRGHRH3
SCHEMBL2603312 0.83 KCNH2 (0.61) KCNH2ESRRBESR1ESRRGHRH3
SCHEMBL7331632 0.83 ESRRB (0.46) KCNH2ESRRBESR1ESRRGHRH3
SCHEMBL2603330 0.83 DRD2 (0.49) KCNH2ESRRBESR1ESRRGHRH3
SCHEMBL13015008 0.78 QDPR (0.49) KCNH2ESR1ATM
SCHEMBL12026437 0.78 KCNH2 (0.50) KCNH2ESRRBESR1ESRRGHRH3
SCHEMBL1475617 0.76 ESRRG (0.55) KCNH2ESRRBESR1ESRRGHRH3

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 KCNH2 4329/4885ESRRB 119/4885ESR1 1138/4885

“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.