SCHEMBL4430198

SCHEMBL4430198

CCC(=O)N1CCC(OCCCN2CCCC2)(c2cccnc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
GAA P10253 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HRH2 P25021 3/20 0.39
HRH1 P35367 3/20 0.39
MET P08581 2/20 0.39
OPRM1 P35372 1/20 0.39
EPHX2 P34913 1/20 0.39
DRD3 P35462 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL4444361 0.99 MEN1 (0.42) MEN1KMT2AHRH3GAACHRNB2
SCHEMBL4444695 0.94 MEN1 (0.44) MEN1KMT2AHRH3GAACHRNB2
SCHEMBL4438944 0.93 HRH3 (0.43) MEN1KMT2AHRH3ALDH1A1HRH2
SCHEMBL4434546 0.93 MEN1 (0.43) MEN1KMT2AHRH3GAACHRNB2
SCHEMBL4442132 0.87 MEN1 (0.43) MEN1KMT2AHRH3GAAALDH1A1
SCHEMBL3442554 0.86 MEN1 (0.43) MEN1KMT2AGAACHRNB2CHRNA4
SCHEMBL4292487 0.85 NAMPT (0.45) GAAEPHX2LMNA
SCHEMBL4299210 0.85 NAMPT (0.44) GAAEPHX2LMNA
SCHEMBL708425 0.82 MEN1 (0.45) MEN1KMT2AHRH3ALDH1A1OPRM1
SCHEMBL2333396 0.82 CHRNB2 (0.46) MEN1KMT2AHRH3GAACHRNB2

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 MEN1 2417/4885KMT2A 2533/4885HRH3 114/4885

“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.