SCHEMBL10293141

SCHEMBL10293141

CC1CCCN(C(=O)c2cc3cc(S(=O)(=O)N4CCCCCC4)ccc3[nH]2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HCRTR1 O43613 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
HRH3 Q9Y5N1 2/20 0.49
HRH4 Q9H3N8 1/20 0.49
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

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
SCHEMBL8275521 0.94 KMT2A (0.56) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL10293243 0.91 MAPT (0.50) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL8278336 0.90 KMT2A (0.60) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL8277168 0.89 KMT2A (0.59) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL10293202 0.89 KMT2A (0.56) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL10293172 0.89 KMT2A (0.59) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL10293208 0.88 KMT2A (0.60) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL10293117 0.87 HRH4 (0.63) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL10293280 0.87 HRH4 (0.63) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL10293168 0.87 HRH4 (0.63) KMT2AMEN1HCRTR1NPC1RAB9A

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 3121/4885HCRTR1 1379/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C KMT2A 3808/4885MEN1 3121/4885HCRTR1 1379/4885

“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.