SCHEMBL4374266

SCHEMBL4374266

CN1CCN(C2(CNC(=O)Cc3ccccc3)CCNCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
HCN1 O60741 4/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HCN4 Q9Y3Q4 4/20 0.48
MC4R P32245 6/20 0.48
LMNA P02545 2/20 0.47
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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) OPRM1SIGMAR1HCN1HCN4LMNA
SCHEMBL6633255 0.83 MAPT (0.60) HCN1MAPTHCN4MC4RLMNA
SCHEMBL4376672 0.77 HCN1 (0.44) OPRM1SIGMAR1HCN1HCN4LMNA
SCHEMBL4124999 0.77 KMT2A (0.44) OPRM1SIGMAR1HCN1HCN4MC4R
SCHEMBL4374231 0.76 KDM4E (0.55) OPRM1SIGMAR1HCN1L3MBTL1HCN4
SCHEMBL6632413 0.75 MC4R (0.59) OPRM1SIGMAR1MAPTMC4RRAB9A
SCHEMBL4132978 0.75 SIGMAR1 (0.44) OPRM1SIGMAR1MC4R
SCHEMBL12342527 0.74 TP53 (0.56) OPRM1SIGMAR1HCN1HCN4LMNA
Hydrochloric Acid SCHEMBL2361490 0.74 TP53 (0.55) OPRM1SIGMAR1HCN1HCN4LMNA
SCHEMBL7249859 0.73 NPFFR1 (0.52) L3MBTL1LMNANPC1RAB9A

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 OPRM1 180/4885SIGMAR1 192/4885HCN1 426/4885

“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.