SCHEMBL4376672

SCHEMBL4376672

CC(=O)NCC1(N2CCN(C)CC2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 8/20 0.44
TP53 P04637 5/20 0.43
HCN4 Q9Y3Q4 5/20 0.43
OPRM1 P35372 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
LMNA P02545 4/20 0.42
THRB P10828 3/20 0.42

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
SCHEMBL13587108 0.83 OPRM1 (0.48) HCN1TP53HCN4OPRM1SIGMAR1
SCHEMBL4374590 0.79 TP53 (0.58) HCN1TP53HCN4OPRM1SIGMAR1
SCHEMBL4374266 0.77 OPRM1 (0.51) HCN1TP53HCN4OPRM1SIGMAR1
SCHEMBL12342527 0.77 TP53 (0.56) HCN1TP53HCN4OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL2361490 0.76 TP53 (0.55) HCN1TP53HCN4OPRM1SIGMAR1
SCHEMBL4374231 0.74 KDM4E (0.55) HCN1TP53HCN4OPRM1SIGMAR1
SCHEMBL29104109 0.73 PHGDH (0.33) SIGMAR1
SCHEMBL24015520 0.71 TDP1 (0.54) TP53HCN4LMNATHRB
SCHEMBL13587107 0.70 OPRM1 (0.52) HCN1TP53HCN4OPRM1SIGMAR1
SCHEMBL21551513 0.70 SMYD3 (0.43) OPRM1

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 HCN1 426/4885TP53 4231/4885HCN4 483/4885

“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.