SCHEMBL2632951

SCHEMBL2632951

CCC(C)N1CCc2c1ccc(C(F)(F)F)c2Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.36
AR P10275 3/20 0.35
NOTUM Q6P988 3/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30

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
SCHEMBL13180827 0.86 P2RX7 (0.40) P2RX7ARNOTUMHTR2AHTR2C
SCHEMBL10311197 0.82 HTR2A (0.33) NOTUMHTR2AHTR2CDRD2DRD3
SCHEMBL13180771 0.81 NOTUM (0.48) NOTUMHTR2AHTR2CDRD2DRD3
SCHEMBL2632883 0.80 NOTUM (0.34) NOTUMDRD2DRD3
SCHEMBL14306817 0.78 HTR2A (0.39) NOTUMHTR2AHTR2C
SCHEMBL2632881 0.76 ADRA2A (0.34) NOTUMHTR2AHTR2CDRD2DRD3
SCHEMBL2625793 0.75 NOTUM (0.38) P2RX7ARNOTUMHTR2AHTR2C
SCHEMBL13180784 0.74 NOTUM (0.49) NOTUMHTR2AHTR2CDRD2DRD3
SCHEMBL2632882 0.70 NOTUM (0.48) ARNOTUMHTR2ADRD2DRD3
SCHEMBL13180775 0.68 NOTUM (0.46) NOTUMHTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 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-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 P2RX7 195/4885AR 3642/4885NOTUM 3081/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 P2RX7 186/4885AR 3992/4885NOTUM 2423/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 P2RX7 123/4885AR 4167/4885NOTUM 2777/4885

“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.