SCHEMBL2603330

SCHEMBL2603330

CC(C)N1CCCCC(c2ccc(F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
KCNH2 Q12809 3/20 0.48
PDE9A O76083 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ESRRB O95718 2/20 0.40
ESR1 P03372 2/20 0.40
ESRRG P62508 2/20 0.40
ATM Q13315 2/20 0.40
PROKR1 Q8TCW9 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 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
SCHEMBL2603275 0.95 DRD2 (0.53) DRD2DRD3KCNH2PDE9ANPC1
SCHEMBL23993613 0.89 KCNH2 (0.47) DRD2DRD3KCNH2PDE9ANPC1
SCHEMBL2603286 0.89 KCNH2 (0.47) DRD2DRD3KCNH2PDE9ANPC1
SCHEMBL2603307 0.84 DRD2 (0.58) DRD2DRD3KCNH2PARP1PARP2
SCHEMBL2603322 0.83 KCNH2 (0.51) DRD2DRD3KCNH2NPC1RAB9A
SCHEMBL25004304 0.81 HRH3 (0.44) KCNH2PDE9ANPC1RAB9AMAPT
SCHEMBL20322517 0.81 DRD2 (0.55) DRD2DRD3NPC1RAB9APARP1
SCHEMBL19459176 0.79 DRD2 (0.53) DRD2DRD3KCNH2PARP1PARP2
SCHEMBL19459098 0.79 DRD2 (0.53) DRD2DRD3KCNH2PARP1PARP2
SCHEMBL19459097 0.79 DRD2 (0.53) DRD2DRD3KCNH2PARP1PARP2

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 DRD2 3249/4885DRD3 2425/4885KCNH2 4329/4885

“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.