SCHEMBL4374590

SCHEMBL4374590

CN1CCN(C2(CNC(=O)c3ccccc3)CCNCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.58
HCN1 O60741 10/20 0.57
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
HCN4 Q9Y3Q4 6/20 0.56
SLC6A9 P48067 1/20 0.54
OPRM1 P35372 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CHRNA7 P36544 1/20 0.49
HCN3 Q9P1Z3 1/20 0.48
HCN2 Q9UL51 1/20 0.48

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
SCHEMBL12342527 0.88 TP53 (0.56) TP53HCN1LMNATHRBHCN4
Hydrochloric Acid SCHEMBL2361490 0.87 TP53 (0.55) TP53HCN1LMNATHRBHCN4
SCHEMBL4374266 0.83 OPRM1 (0.51) TP53HCN1LMNATHRBHCN4
SCHEMBL4374231 0.83 KDM4E (0.55) TP53HCN1LMNATHRBHCN4
SCHEMBL4376672 0.79 HCN1 (0.44) TP53HCN1LMNATHRBHCN4
SCHEMBL13587111 0.78 TP53 (0.61) TP53HCN1LMNATHRBHCN4
SCHEMBL1971598 0.76 LMNA (0.52) LMNA
SCHEMBL16233192 0.75 TP53 (0.73) TP53HCN1LMNATHRBHCN4
SCHEMBL13587108 0.74 OPRM1 (0.48) TP53HCN1LMNATHRBHCN4
SCHEMBL3405602 0.74 HCN1 (0.47) TP53HCN1LMNATHRBHCN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO 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-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 TP53 4231/4885HCN1 426/4885LMNA 2316/4885

“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.