SCHEMBL13061598

SCHEMBL13061598

CCN1CCCN(CCN2CCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
POLB P06746 1/20 0.42
KDM1A O60341 1/20 0.40
TLR7 Q9NYK1 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHRNA7 P36544 1/20 0.37
HSD11B1 P28845 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
SCHEMBL13062547 0.97 HRH3 (0.48) CYP2D6KMT2ACARM1PRMT6PRMT8
SCHEMBL10294630 0.97 CYP2D6 (0.46) CYP2D6KMT2ACARM1PRMT6PRMT8
SCHEMBL13061597 0.94 HRH3 (0.50) CYP2D6KMT2ACARM1PRMT6PRMT8
SCHEMBL19679816 0.88 KMT2A (0.48) CYP2D6KMT2AHRH3CHRNA7HSD11B1
SCHEMBL1044668 0.88 KMT2A (0.46) CYP2D6KMT2APOLBCHRNA7HSD11B1
SCHEMBL1045372 0.88 KMT2A (0.46) CYP2D6KMT2APOLBCHRNA7HSD11B1
SCHEMBL19679818 0.88 KMT2A (0.46) CYP2D6KMT2APOLBCHRNA7HSD11B1
SCHEMBL577863 0.88 KMT2A (0.46) CYP2D6KMT2APOLBCHRNA7HSD11B1
SCHEMBL577083 0.88 KMT2A (0.46) CYP2D6KMT2APOLBCHRNA7HSD11B1
SCHEMBL19679814 0.88 KMT2A (0.46) CYP2D6KMT2APOLBCHRNA7HSD11B1

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-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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 (2 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP2D6 307/4885KMT2A 1686/4885CARM1 4617/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CYP2D6 307/4885KMT2A 1686/4885CARM1 4617/4885

“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.