SCHEMBL2632883

SCHEMBL2632883

CCC(C)N1CCc2c1ccc(C)c2Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CRHR1 P34998 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
PGR P06401 1/20 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
SCHEMBL13180771 0.86 NOTUM (0.48) NOTUMADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL10311197 0.84 HTR2A (0.33) NOTUMADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL14306817 0.82 HTR2A (0.39) NOTUMADRA2AADRA2BADRA2C
SCHEMBL2632951 0.80 P2RX7 (0.36) NOTUMDRD2DRD3
SCHEMBL13180775 0.78 NOTUM (0.46) NOTUMADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL13180784 0.78 NOTUM (0.49) NOTUMADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL2632881 0.78 ADRA2A (0.34) NOTUMADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL14473515 0.74 NOTUM (0.37) NOTUM
SCHEMBL12735394 0.72 ALDH1A1 (0.40) NOTUMCRHR1NPSR1DRD2DRD3
SCHEMBL2625783 0.72 NOTUM (0.40) NOTUMADRA2ACYP2D6ADRA2BADRA2C

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-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-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 NOTUM 1926/4885ADRA2A 1984/4885CYP2D6 1835/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 NOTUM 3081/4885ADRA2A 588/4885CYP2D6 1652/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 NOTUM 2423/4885ADRA2A 1812/4885CYP2D6 2396/4885

“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.