SCHEMBL2603290

SCHEMBL2603290

CC(C)N1CCCCCC1c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KCNA5 P22460 3/20 0.41
KCNE1 P15382 1/20 0.41
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPEPPS P55786 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2603276 0.98 CXCR4 (0.43) CXCR4PRMT5WDR77KCNA5KCNE1
SCHEMBL2603271 0.94 CXCR4 (0.42) CXCR4PRMT5WDR77PARP1ALDH1A1
SCHEMBL14213448 0.94 CXCR4 (0.42) CXCR4PRMT5WDR77PARP1ALDH1A1
SCHEMBL12643789 0.94 CXCR4 (0.42) CXCR4PRMT5WDR77PARP1ALDH1A1
SCHEMBL17114327 0.85 CXCR4 (0.40) CXCR4PRMT5WDR77LMNAALDH1A1
SCHEMBL13558662 0.85 CXCR4 (0.43) CXCR4PRMT5WDR77LMNAALDH1A1
SCHEMBL17114328 0.85 CXCR4 (0.40) CXCR4PRMT5WDR77LMNAALDH1A1
SCHEMBL10079079 0.80 CHRNB2 (0.51) CXCR4LMNAALDH1A1MAPTKDM4E
SCHEMBL2606085 0.80 CXCR4 (0.42) CXCR4PRMT5WDR77ALDH1A1MAPT
SCHEMBL14017659 0.78 CHRNB2 (0.53) CXCR4LMNAALDH1A1MAPTKDM4E

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 5 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-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 CXCR4 3376/4885PRMT5 1238/4885WDR77 2903/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 CXCR4 3807/4885PRMT5 2040/4885WDR77 3136/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 CXCR4 3807/4885PRMT5 2040/4885WDR77 3136/4885

“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.