SCHEMBL2603307

SCHEMBL2603307

CC(C)N1CCCCC(c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.58
DRD3 P35462 3/20 0.58
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
KCNH2 Q12809 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SLC18A3 Q16572 1/20 0.44
ESRRB O95718 1/20 0.43
ESR1 P03372 1/20 0.43
ESRRG P62508 1/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
KDM1A O60341 1/20 0.42
PROKR1 Q8TCW9 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SRD5A1 P18405 1/20 0.41

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
SCHEMBL17658922 0.95 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2603277 0.95 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21323287 0.95 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2603285 0.88 HRH3 (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12609029 0.88 HRH3 (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12609017 0.88 HRH3 (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22795472 0.86 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22795471 0.86 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22795216 0.86 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL14552934 0.84 DRD2 (0.62) DRD2DRD3DRD1DRD4DRD5

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 8 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-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 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-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 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 (4 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 2425/4885DRD1 2497/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 DRD2 2914/4885DRD3 2701/4885DRD1 2138/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 DRD2 2818/4885DRD3 2642/4885DRD1 1778/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 DRD2 2914/4885DRD3 2701/4885DRD1 2138/4885

“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.