SCHEMBL1233388

SCHEMBL1233388

CS(=O)(=O)N1CCCn2c(nc3cnc4cc(OCc5ccccc5)ccc4c32)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.39
MCHR1 Q99705 1/20 0.38
KIT P10721 1/20 0.38
NMT1 P30419 1/20 0.38
CYP8B1 Q9UNU6 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
CD4 P01730 1/20 0.37
GRM4 Q14833 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 2/20 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
SCHEMBL1233029 0.85 TLR7 (0.37) PRMT5MCHR1HRH3CD4CYP3A4
SCHEMBL1233682 0.80 CYP8B1 (0.44) PRMT5KITNMT1CYP8B1
SCHEMBL1233364 0.80 PRMT5 (0.39) PRMT5MCHR1HRH3CD4CYP3A4
SCHEMBL1232966 0.79 MCHR1 (0.49) PRMT5MCHR1KITNMT1GRM4
SCHEMBL1232944 0.77 CYP8B1 (0.47) PRMT5KITNMT1CYP8B1
SCHEMBL311936 0.76 PRKDC (0.45) PRMT5KITNMT1GRM4CYP3A4
SCHEMBL203370 0.74 MAOB (0.41) KITNMT1GRM4CYP3A4
SCHEMBL1232959 0.72 JAK2 (0.36)
SCHEMBL4239447 0.70 NPC1 (0.49) KITHRH3GRM4CYP3A4
SCHEMBL1231786 0.68 TLR7 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 PRMT5 630/4885MCHR1 2512/4885KIT 783/4885

“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.