SCHEMBL2603308

SCHEMBL2603308

CC(C)N1CCCCC1c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.43
PARP2 Q9UGN5 1/20 0.43
CHRNB2 P17787 3/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNA4 P43681 3/20 0.42
HRH3 Q9Y5N1 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC6 Q9UBN7 1/20 0.37
CFB P00751 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA2 Q15822 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
PSIP1 O75475 1/20 0.36

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
SCHEMBL12643808 0.95 PARP1 (0.42) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL12643795 0.95 PARP1 (0.42) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL2603272 0.95 PARP1 (0.42) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL12609020 0.83 CHRNB2 (0.53) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL22213795 0.83 CHRNB2 (0.53) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL2603300 0.83 CHRNB2 (0.53) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL23492908 0.83 CHRNB2 (0.42) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL2603302 0.81 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4CYP2C19ALDH1A1
SCHEMBL2603292 0.81 CHRNB2 (0.51) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL22473456 0.80 TRPA1 (0.44) PARP1PARP2HRH3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (3 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 PARP1 3012/4885PARP2 4017/4885CHRNB2 1125/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 PARP1 3319/4885PARP2 4251/4885CHRNB2 1734/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 PARP1 3319/4885PARP2 4251/4885CHRNB2 1734/4885

“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.