SCHEMBL10293104

SCHEMBL10293104

CC1CCN(S(=O)(=O)c2ccc3[nH]c(C(=O)N4CC(C)CC(C)C4)cc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 4/20 0.58
POLB P06746 2/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
HCRTR1 O43613 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
AKR1C3 P42330 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL8278336 0.92 KMT2A (0.60) KMT2AMEN1POLBKDM4ELMNA
SCHEMBL10293271 0.92 MEN1 (0.53) KMT2AMEN1POLBHSD17B10LMNA
SCHEMBL8277436 0.91 KMT2A (0.63) KMT2AMEN1POLBHSD17B10KDM4E
SCHEMBL10293205 0.91 HRH4 (0.53) KMT2AMEN1POLBLMNAHCRTR1
SCHEMBL8275521 0.90 KMT2A (0.56) KMT2AMEN1POLBHSD17B10KDM4E
SCHEMBL10293208 0.89 KMT2A (0.60) KMT2AMEN1POLBHSD17B10KDM4E
SCHEMBL10293172 0.88 KMT2A (0.59) KMT2AMEN1POLBHSD17B10KDM4E
SCHEMBL8277168 0.88 KMT2A (0.59) KMT2AMEN1POLBHSD17B10KDM4E
SCHEMBL8275565 0.88 HRH4 (0.58) KMT2AMEN1POLBHSD17B10HCRTR1
SCHEMBL10293243 0.87 MAPT (0.50) KMT2AMEN1LMNAHCRTR1HRH4

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 KMT2A 3808/4885MEN1 3121/4885POLB 4878/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C KMT2A 3808/4885MEN1 3121/4885POLB 4878/4885

“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.