SCHEMBL10293115

SCHEMBL10293115

CC1CC(C)CN(S(=O)(=O)c2ccc3[nH]c(C(=O)NCCc4ccccc4)cc3c2)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.60
CNR2 P34972 2/20 0.60
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
NAMPT P43490 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GHSR Q92847 3/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL10293246 0.95 CNR1 (0.54) CNR1CNR2NPC1RAB9AKDM4E
SCHEMBL10293155 0.91 CNR1 (0.59) CNR1CNR2KDM4EMAPTNAMPT
SCHEMBL8276799 0.89 NPC1 (0.56) NPC1RAB9AKDM4EMAPTNAMPT
SCHEMBL10293175 0.86 NAMPT (0.47) CNR1CNR2RAB9AMAPTNAMPT
SCHEMBL10293173 0.85 MAPT (0.57) CNR1NPC1RAB9AKDM4EMAPT
SCHEMBL8276748 0.84 LMNA (0.51) NPC1RAB9AKDM4EMAPTNAMPT
SCHEMBL8275504 0.82 MEN1 (0.45) CNR1CNR2KDM4EMAPTNAMPT
SCHEMBL10259162 0.82 CNR1 (0.68) CNR1CNR2MEN1KMT2A
SCHEMBL10293150 0.82 CNR1 (0.52) CNR1CNR2MEN1KMT2AGHSR
SCHEMBL10293102 0.81 CNR1 (0.60) CNR1CNR2KDM4EMAPTMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 US disclosed
US-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 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-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C CNR1 180/4885CNR2 162/4885NPC1 1567/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C CNR1 180/4885CNR2 162/4885NPC1 1567/4885

“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.