SCHEMBL2569983

SCHEMBL2569983

c1ccc(CN2CCC(c3cccnc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.64
TP53 P04637 1/20 0.61
MDM2 Q00987 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
DRD2 P14416 3/20 0.58
SIGMAR1 Q99720 1/20 0.56
CCR5 P51681 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
CYP11B2 P19099 1/20 0.53

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
SCHEMBL8844573 0.93 TP53 (0.59) TRPV6TP53MDM2MEN1KMT2A
SCHEMBL1002852 0.84 MEN1 (0.81) TP53MEN1KMT2ADRD2SIGMAR1
SCHEMBL17677208 0.83 TRPV6 (0.50) TRPV6TP53MDM2MEN1KMT2A
SCHEMBL16272022 0.83 TRPV6 (0.50) TRPV6TP53MDM2MEN1KMT2A
SCHEMBL31328408 0.83 DRD4 (0.48) TRPV6TP53MDM2MEN1KMT2A
SCHEMBL13842724 0.80 CYP11B2 (0.57) DRD2CHRNB2CHRNA4CYP11B2
SCHEMBL28873570 0.80 CYP11B2 (0.57) TRPV6CCR5CHRNB2CHRNA4CYP11B2
SCHEMBL9557866 0.80 CYP11B2 (0.57) TRPV6CCR5CHRNB2CHRNA4CYP11B2
SCHEMBL6956567 0.80 TP53 (0.54) TRPV6TP53MDM2SIGMAR1CCR5
SCHEMBL15800693 0.79 CHRNB2 (0.77) TRPV6DRD2SIGMAR1DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TRPV6 107/4885TP53 2982/4885MDM2 3910/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TRPV6 107/4885TP53 2982/4885MDM2 3910/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 TRPV6 107/4885TP53 2982/4885MDM2 3910/4885

“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.