SCHEMBL2632881

SCHEMBL2632881

CCC(C)N1CCc2c1ccc(Cl)c2F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 3/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
CYP2D6 P10635 1/20 0.34
DRD3 P35462 3/20 0.34
KCNH2 Q12809 2/20 0.34
NOTUM Q6P988 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 3/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR2A P28223 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
CNR1 P21554 1/20 0.31
PNMT P11086 1/20 0.31

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
SCHEMBL13180771 0.85 NOTUM (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10311197 0.82 HTR2A (0.33) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13180784 0.80 NOTUM (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2632883 0.78 NOTUM (0.34) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2632951 0.76 P2RX7 (0.36) DRD3NOTUMDRD2HTR2AHTR2C
SCHEMBL2632882 0.76 NOTUM (0.48) DRD3KCNH2NOTUMDRD2HTR2A
SCHEMBL14306817 0.75 HTR2A (0.39) ADRA2AADRA2BADRA2CNOTUMHTR2A
SCHEMBL2625778 0.73 NOTUM (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13180799 0.72 PTGS2 (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13180775 0.71 NOTUM (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 4 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-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 (2 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 ADRA2A 588/4885ADRA2B 886/4885ADRA2C 347/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ADRA2A 1812/4885ADRA2B 2385/4885ADRA2C 1615/4885

“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.