Sugi Predict

Sugi Predict / Compounds / SCHEMBL2632882

SCHEMBL2632882

SCHEMBL2632882

CCC(C)N1CCc2c(F)cccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.48
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD2 P14416 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ DRD3 P35462 2/20 0.34
▸ AKT1 P31749 3/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ AR P10275 1/20 0.33

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
SCHEMBL27010069 0.83 NOTUM (0.53) NOTUMDRD4DRD2HTR2AHRH1
SCHEMBL13180775 0.83 NOTUM (0.46) NOTUMDRD4DRD2MAPK1
SCHEMBL13180784 0.83 NOTUM (0.49) NOTUMDRD4DRD2HTR2ADRD3
SCHEMBL12383499 0.81 DRD2 (0.39) NOTUMDRD2DRD3
SCHEMBL10311202 0.80 NOTUM (0.51) NOTUMAR
SCHEMBL10311197 0.79 HTR2A (0.33) NOTUMDRD2HTR2ADRD3KDM4E
SCHEMBL13180799 0.77 PTGS2 (0.38) DRD2DRD3
SCHEMBL2632881 0.76 ADRA2A (0.34) NOTUMDRD2HTR2AKCNH2TMEM97
SCHEMBL12384215 0.75 SLC6A2 (0.37) DPP8DPP9DPP7DRD2KCNH2
SCHEMBL24316041 0.74 NOTUM (0.46) NOTUMDRD4DRD2HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-7994174-B2 Pyridyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-09 — — 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-20090105271-A1 PYRIDYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-04-23 — — 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 NOTUM 3081/4885DPP8 2701/4885DPP9 2706/4885
US-20090105271-A1 PYRIDYL SULFONAMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 NOTUM 2838/4885DPP8 2167/4885DPP9 2547/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 NOTUM 2423/4885DPP8 1665/4885DPP9 1836/4885

“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.