SCHEMBL10293144

SCHEMBL10293144

CC1CC(C)CN(S(=O)(=O)c2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.57
HRH3 Q9Y5N1 4/20 0.56
HRH1 P35367 1/20 0.56
MEN1 O00255 1/20 0.49
HCRTR1 O43613 1/20 0.49
KMT2A Q03164 1/20 0.49

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) HRH4HRH3MEN1HCRTR1KMT2A
SCHEMBL2215696 0.91 NPC1 (0.57) HRH4HRH3MEN1HCRTR1KMT2A
SCHEMBL10293271 0.91 MEN1 (0.53) HRH4HRH3MEN1HCRTR1KMT2A
SCHEMBL8276962 0.91 NPC1 (0.57) HRH4HRH3MEN1HCRTR1KMT2A
SCHEMBL10293205 0.91 HRH4 (0.53) HRH4HRH3MEN1HCRTR1KMT2A
SCHEMBL8275565 0.89 HRH4 (0.58) HRH4HRH3HRH1MEN1HCRTR1
SCHEMBL10293119 0.88 KMT2A (0.62) MEN1HCRTR1KMT2A
SCHEMBL10293243 0.86 MAPT (0.50) HRH4HRH3MEN1HCRTR1KMT2A
SCHEMBL8277123 0.85 HRH4 (0.62) HRH4HRH3HRH1MEN1HCRTR1
SCHEMBL10259815 0.85 KMT2A (0.59) MEN1HCRTR1KMT2A

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 HRH4 576/4885HRH3 925/4885HRH1 582/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C HRH4 576/4885HRH3 925/4885HRH1 582/4885

“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.