SCHEMBL4374231

SCHEMBL4374231

CN1CCN(C2(CNC(=O)c3ccccn3)CCNCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HCN4 Q9Y3Q4 8/20 0.53
HCN1 O60741 11/20 0.52
TP53 P04637 3/20 0.49
OPRM1 P35372 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
HCN3 Q9P1Z3 1/20 0.47
HCN2 Q9UL51 1/20 0.47
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1F P30939 1/20 0.45
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL4374590 0.83 TP53 (0.58) KDM4EHCN4HCN1TP53OPRM1
SCHEMBL12342527 0.81 TP53 (0.56) HCN4HCN1TP53OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL2361490 0.80 TP53 (0.55) HCN4HCN1TP53OPRM1SIGMAR1
SCHEMBL4374266 0.76 OPRM1 (0.51) L3MBTL1HCN4HCN1TP53OPRM1
SCHEMBL4376672 0.74 HCN1 (0.44) HCN4HCN1TP53OPRM1SIGMAR1
SCHEMBL7473046 0.71 KMT2A (0.56) KDM4EGAAHSD17B10L3MBTL1
SCHEMBL13587111 0.71 TP53 (0.61) HCN4HCN1TP53OPRM1SIGMAR1
SCHEMBL21436913 0.70 KMT2A (0.55) KDM4EGAAHSD17B10L3MBTL1
SCHEMBL30761563 0.70 KMT2A (0.55) KDM4EGAAHSD17B10L3MBTL1
SCHEMBL13587108 0.70 OPRM1 (0.48) HCN4HCN1TP53OPRM1SIGMAR1

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 KDM4E 3663/4885GAA 3077/4885HSD17B10 4144/4885

“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.