SCHEMBL10293243

SCHEMBL10293243

CC1CCCN(C(=O)c2cc3cc(S(=O)(=O)N4CC(C)CC(C)C4)ccc3[nH]2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HCRTR1 O43613 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 3/20 0.44
HRH4 Q9H3N8 2/20 0.44

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
SCHEMBL8277125 0.92 NPC1 (0.55) MAPTTP53KMT2AMEN1HCRTR1
SCHEMBL8275521 0.91 KMT2A (0.56) MAPTTP53KMT2AMEN1HCRTR1
SCHEMBL10293141 0.91 KMT2A (0.53) MAPTTP53KMT2AMEN1HCRTR1
SCHEMBL2215696 0.91 NPC1 (0.57) MAPTTP53KMT2AMEN1HCRTR1
SCHEMBL8276962 0.91 NPC1 (0.57) MAPTTP53KMT2AMEN1HCRTR1
SCHEMBL10293205 0.91 HRH4 (0.53) MAPTTP53KMT2AMEN1HCRTR1
SCHEMBL10293271 0.89 MEN1 (0.53) MAPTTP53KMT2AMEN1HCRTR1
SCHEMBL8278336 0.87 KMT2A (0.60) MAPTTP53KMT2AMEN1HCRTR1
SCHEMBL10293104 0.87 KMT2A (0.58) KMT2AMEN1HCRTR1LMNANPC1
SCHEMBL10293144 0.86 HRH4 (0.57) KMT2AMEN1HCRTR1HRH3HRH4

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 MAPT 1243/4885TP53 4174/4885KMT2A 3808/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MAPT 1243/4885TP53 4174/4885KMT2A 3808/4885

“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.