SCHEMBL10293155

SCHEMBL10293155

CC1CC(C)CN(S(=O)(=O)c2ccc3[nH]c(C(=O)NCc4ccccc4)cc3c2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.59
CNR2 P34972 4/20 0.59
KDM4E B2RXH2 1/20 0.54
NAMPT P43490 9/20 0.54
LMNA P02545 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL10293115 0.91 CNR1 (0.60) CNR1CNR2KDM4ENAMPTMAPT
SCHEMBL10293246 0.89 CNR1 (0.54) CNR1CNR2KDM4ENAMPTMAPT
SCHEMBL10293140 0.89 LMNA (0.61) KDM4ENAMPTLMNAALDH1A1MAPT
SCHEMBL10293175 0.87 NAMPT (0.47) CNR1CNR2NAMPTALDH1A1MAPT
SCHEMBL1156500 0.84 NAMPT (0.68) KDM4ENAMPTLMNACA12CA1
SCHEMBL8275504 0.84 MEN1 (0.45) CNR1CNR2KDM4ENAMPTALDH1A1
SCHEMBL10293102 0.83 CNR1 (0.60) CNR1CNR2KDM4ELMNAALDH1A1
SCHEMBL1156443 0.83 HPGD (0.51) CNR1CNR2KDM4ELMNAALDH1A1
SCHEMBL10262091 0.81 CNR1 (0.67) CNR1CNR2NAMPTLMNAALDH1A1
SCHEMBL8278394 0.81 CNR1 (0.47) CNR1CNR2KDM4EALDH1A1MAPT

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 162/4885KDM4E 3067/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C CNR1 180/4885CNR2 162/4885KDM4E 3067/4885

“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.