SCHEMBL2603302

SCHEMBL2603302

CC(C)N1CCCCC1c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.67
CHRNA7 P36544 4/20 0.67
CHRNA4 P43681 4/20 0.67
ALDH1A1 P00352 6/20 0.60
CHRNB4 P30926 2/20 0.60
CHRNA3 P32297 2/20 0.60
CHRNA2 Q15822 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 1/20 0.60
HTR3E A5X5Y0 1/20 0.60
PSIP1 O75475 1/20 0.60
TRPA1 O75762 1/20 0.60
HTR3B O95264 1/20 0.60
CHRNA1 P02708 1/20 0.60
CHRNG P07510 1/20 0.60
MAPT P10636 1/20 0.60
CHRNB1 P11230 1/20 0.60
CYP2A6 P11509 1/20 0.60
PTGS1 P23219 1/20 0.60
CHRNA5 P30532 1/20 0.60

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
SCHEMBL2603268 0.95 CHRNA7 (0.66) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL12643806 0.95 CHRNA7 (0.66) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL12644333 0.95 CHRNA7 (0.66) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL2603308 0.81 PARP1 (0.43) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL12609020 0.81 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL22213795 0.81 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL2603300 0.81 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL9682870 0.81 CHRNA7 (0.61) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL10624740 0.81 CHRNA7 (0.61) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL23492908 0.81 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4

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 CHRNB2 1125/4885CHRNA7 1599/4885CHRNA4 1993/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 CHRNB2 1734/4885CHRNA7 2734/4885CHRNA4 2831/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 CHRNB2 1734/4885CHRNA7 2734/4885CHRNA4 2831/4885

“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.