SCHEMBL2632800

SCHEMBL2632800

CCC(C)N1CCc2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
ROCK1 Q13464 1/20 0.39
NOTUM Q6P988 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
XIAP P98170 1/20 0.38
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 3/20 0.37
DPP7 Q9UHL4 3/20 0.37
DPP4 P27487 2/20 0.37
HTR2C P28335 5/20 0.37
HTR2B P41595 5/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 4/20 0.35
CYP1A2 P05177 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
SCHEMBL13180773 0.88 NOTUM (0.48) ROCK1NOTUMSLC6A2SLC6A4KCNH2
SCHEMBL10311201 0.83 CHRM2 (0.42) CHRM2CHRM3ROCK1NOTUMSLC6A2
SCHEMBL20195809 0.81 DRD1 (0.46) CHRM2HTR2CHTR2BDRD2DRD4
SCHEMBL14315637 0.81 HTR2A (0.55) CHRM2CHRM3NOTUMSLC6A2SLC6A4
SCHEMBL10311214 0.81 CNR2 (0.43) NOTUMKCNH2TMEM97SIGMAR1XIAP
SCHEMBL19997276 0.79 DRD1 (0.49) NOTUMKCNH2HTR2CHTR2BDRD2
SCHEMBL24729037 0.77 ALDH1A1 (0.47) NOTUMSLC6A2SLC6A4SIGMAR1DRD2
SCHEMBL8216960 0.77 ALDH1A1 (0.47) NOTUMSLC6A2SLC6A4SIGMAR1DRD2
SCHEMBL13180663 0.76 HTR2A (0.57) SLC6A2SLC6A4HTR2CHTR2BHTR2A
SCHEMBL2632810 0.74 HTR2A (0.41) SLC6A4TMEM97SIGMAR1HTR2CHTR2B

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 2 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

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 CHRM2 1906/4885CHRM3 1042/4885ROCK1 4598/4885

“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.