SCHEMBL10293271

SCHEMBL10293271

CC1CCN(C(=O)c2cc3cc(S(=O)(=O)N4CC(C)CC(C)C4)ccc3[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
AKR1C3 P42330 6/20 0.51
HCRTR1 O43613 1/20 0.48
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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 0.93 NPC1 (0.55) MEN1KMT2AAKR1C3HCRTR1HRH4
SCHEMBL2215696 0.92 NPC1 (0.57) MEN1KMT2AAKR1C3HCRTR1HRH4
SCHEMBL10293104 0.92 KMT2A (0.58) MEN1KMT2AAKR1C3HCRTR1POLB
SCHEMBL8276962 0.92 NPC1 (0.57) MEN1KMT2AAKR1C3HCRTR1HRH4
SCHEMBL8277436 0.91 KMT2A (0.63) MEN1KMT2AAKR1C3HCRTR1POLB
SCHEMBL10293205 0.91 HRH4 (0.53) MEN1KMT2AAKR1C3HCRTR1POLB
SCHEMBL10293144 0.91 HRH4 (0.57) MEN1KMT2AHCRTR1HRH4HRH3
SCHEMBL10293243 0.89 MAPT (0.50) MEN1KMT2AAKR1C3HCRTR1HRH4
SCHEMBL10293202 0.88 KMT2A (0.56) MEN1KMT2AAKR1C3HCRTR1POLB
SCHEMBL10293208 0.87 KMT2A (0.60) MEN1KMT2AAKR1C3HCRTR1POLB

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 MEN1 3121/4885KMT2A 3808/4885AKR1C3 4052/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MEN1 3121/4885KMT2A 3808/4885AKR1C3 4052/4885

“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.