SCHEMBL4438944

SCHEMBL4438944

CCC(=O)N1CCC(OCCCN2CCN(C)CC2)(c2cccnc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
ALDH1A1 P00352 2/20 0.39
OPRM1 P35372 1/20 0.38
EPHX2 P34913 1/20 0.38
DRD3 P35462 3/20 0.38
LMNA P02545 2/20 0.38
MCHR1 Q99705 1/20 0.37
DRD2 P14416 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
SCHEMBL4442132 0.94 MEN1 (0.43) HRH3MEN1KMT2AALDH1A1OPRM1
SCHEMBL4430198 0.93 MEN1 (0.43) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL4444361 0.92 MEN1 (0.42) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL4444695 0.87 MEN1 (0.44) HRH3MEN1KMT2AALDH1A1OPRM1
SCHEMBL4434546 0.86 MEN1 (0.43) HRH3MEN1KMT2AALDH1A1OPRM1
SCHEMBL4292946 0.86 NAMPT (0.44) HRH2HRH1EPHX2
SCHEMBL4299495 0.80 NAMPT (0.45)
SCHEMBL3442554 0.79 MEN1 (0.43) MEN1KMT2AHRH2HRH1ALDH1A1
SCHEMBL4292487 0.79 NAMPT (0.45) EPHX2LMNA
SCHEMBL3441800 0.78 BDKRB1 (0.62)

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 HRH3 114/4885MEN1 2417/4885KMT2A 2533/4885

“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.