SCHEMBL10259707

SCHEMBL10259707

Cc1c(C(=O)N2CCN(C)CC2)[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.58
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
BACE1 P56817 1/20 0.47
HTR6 P50406 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 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
SCHEMBL10260192 0.94 KDM4E (0.62) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL8275571 0.92 KDM4E (0.60) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL10259272 0.91 KDM4E (0.59) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL8277465 0.89 GAA (0.63) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL8276985 0.89 KMT2A (0.54) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL10259839 0.89 HTT (0.59) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL10259809 0.89 KDM4E (0.57) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL10259879 0.89 GAA (0.56) HTTKMT2AMEN1HPGDGAA
SCHEMBL10260095 0.87 KDM4E (0.57) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL10259787 0.86 LMNA (0.54) HTTKDM4EKMT2AMEN1HPGD

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 10 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-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-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 HTT 1408/4885KDM4E 3067/4885KMT2A 3808/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C HTT 1408/4885KDM4E 3067/4885KMT2A 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.