SCHEMBL2632953

SCHEMBL2632953

CC(C)N1CCc2c(Cl)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
ADRA2A P08913 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
CYP2D6 P10635 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CNR1 P21554 1/20 0.44
DRD2 P14416 5/20 0.39
DRD3 P35462 5/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD4 P21917 1/20 0.37
P2RX7 Q99572 1/20 0.37
GRM5 P41594 1/20 0.36
KCNH2 Q12809 1/20 0.35
ADRB1 P08588 2/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL17806239 0.90 NOTUM (0.46) NOTUMADRA2AADRA2BADRA2CADRA1D
SCHEMBL13180784 0.85 NOTUM (0.49) NOTUMADRA2AADRA2BADRA2CADRA1D
SCHEMBL17173258 0.80 NOTUM (0.51) NOTUMCNR1DRD2HTR2CDRD4
SCHEMBL13180753 0.79 DRD2 (0.42) NOTUMCNR1DRD2DRD3
SCHEMBL27010069 0.79 NOTUM (0.53) NOTUMCNR1DRD2DRD3HTR2A
SCHEMBL26650896 0.79 ADRA2C (0.37) NOTUMADRA2AADRA2BADRA2CADRA1D
SCHEMBL9914264 0.79 FAAH (0.36) NOTUMADRA2AADRA2BADRA2CADRA1D
SCHEMBL13180883 0.79 NOTUM (0.53) NOTUMADRA2AADRA2BADRA2CADRA1D
SCHEMBL20353869 0.76 HTR2C (0.40) NOTUMCNR1DRD2DRD3HTR2A
SCHEMBL19910605 0.76 CNR1 (0.33) NOTUMADRA2AADRA2BADRA2CADRA1D

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 NOTUM 2423/4885ADRA2A 1812/4885ADRA2B 2385/4885

“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.