SCHEMBL10293140

SCHEMBL10293140

CC1CCN(S(=O)(=O)c2ccc3[nH]c(C(=O)NCc4ccccc4)cc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
NAMPT P43490 8/20 0.59
MAPT P10636 3/20 0.55
TP53 P04637 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL8276799 0.91 NPC1 (0.56) LMNANAMPTMAPTTP53KDM4E
SCHEMBL8276748 0.89 LMNA (0.51) LMNANAMPTMAPTTP53KDM4E
SCHEMBL10293155 0.89 CNR1 (0.59) LMNANAMPTMAPTKDM4EALDH1A1
SCHEMBL1156500 0.88 NAMPT (0.68) LMNANAMPTMAPTTP53KDM4E
SCHEMBL10293240 0.87 MEN1 (0.58) LMNANAMPTMAPTRXFP1KDM4E
SCHEMBL10293124 0.84 KMT2A (0.61) LMNANAMPTMAPTKDM4EMEN1
SCHEMBL10293151 0.82 ATM (0.57) LMNARXFP1KDM4EMEN1KMT2A
SCHEMBL8275562 0.81 KMT2A (0.52) LMNANAMPTMAPTKDM4EMEN1
SCHEMBL10259853 0.81 LMNA (0.58) LMNAMAPTTP53RXFP1KDM4E
SCHEMBL10293113 0.81 KMT2A (0.58) LMNAMAPTKDM4EMEN1KMT2A

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 LMNA 1753/4885NAMPT 2751/4885MAPT 1243/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C LMNA 1753/4885NAMPT 2751/4885MAPT 1243/4885

“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.