SCHEMBL2632942

SCHEMBL2632942

COc1cccc2c1CC(C(=O)N1CCN(c3ccc(S(=O)(=O)Nc4ccncn4)cc3)CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.45
DRD4 P21917 1/20 0.45
HTR1D P28221 1/20 0.45
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
IDH1 O75874 1/20 0.45
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL14685810 0.86 IDH1 (0.45) ADRB1DRD4HTR1DSSTR1SSTR2
SCHEMBL2626448 0.78 NAMPT (0.41) MMP2MMP13SCN9A
SCHEMBL2632746 0.78 CHRM1 (0.43) IDH1MMP2MMP13SCN9A
SCHEMBL2626523 0.75 NAMPT (0.44)
SCHEMBL2625825 0.74 NAMPT (0.42)
SCHEMBL1576449 0.74 SCN8A (0.44) SCN9A
SCHEMBL13828266 0.73 MAPT (0.45)
SCHEMBL10310835 0.73 SCN9A (0.42) SCN9A
SCHEMBL2625956 0.73 SCN9A (0.42) SCN9A
SCHEMBL2626276 0.73 HTT (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 ADRB1 2982/4885DRD4 3477/4885HTR1D 1396/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 ADRB1 990/4885DRD4 2786/4885HTR1D 840/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ADRB1 2808/4885DRD4 3290/4885HTR1D 1712/4885

“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.