SCHEMBL2632787

SCHEMBL2632787

CCC(C)N1CCc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
ADORA2A P29274 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NUDT1 P36639 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL12381902 0.86 MTNR1A (0.44) MTNR1AADORA2AGRIN2DGRIN3BGRIN1
SCHEMBL12048949 0.83 MTNR1A (0.43) MTNR1AADORA2AGRIN2DGRIN3BGRIN1
SCHEMBL19864956 0.81 MTNR1A (0.42) MTNR1AADORA2AGRIN2DGRIN3BGRIN1
SCHEMBL24897459 0.80 MTNR1A (0.42) MTNR1AADORA2AGRIN2DGRIN3BGRIN1
SCHEMBL27252004 0.80 HTR1A (0.48) HTR2AHTR2CHTR2BDPP8DPP9
SCHEMBL20690890 0.75 DPP8 (0.41) DPP8DPP9DRD2
SCHEMBL21216167 0.75 MTNR1A (0.38) MTNR1AHDAC1HDAC6ADRA2AADRA2B
SCHEMBL256377 0.74 MTNR1A (0.50) MTNR1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10094120 0.74 JAK2 (0.49) MTNR1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25616715 0.74 ADORA2A (0.36) MTNR1AADORA2AGRIN2DGRIN3BGRIN1

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 MTNR1A 988/4885ADORA2A 685/4885GRIN2D 232/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 MTNR1A 1626/4885ADORA2A 2451/4885GRIN2D 504/4885

“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.