SCHEMBL10293192

SCHEMBL10293192

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 4/20 0.47
NPSR1 Q6W5P4 3/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.43
NR2F2 P24468 1/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1156443 0.89 HPGD (0.51) MEN1KMT2APOLBNPSR1HPGD
SCHEMBL10293205 0.87 HRH4 (0.53) MEN1KMT2APOLBNPSR1HPGD
SCHEMBL8275504 0.86 MEN1 (0.45) MEN1KMT2APOLBNPSR1HPGD
SCHEMBL10293244 0.86 NR2F2 (0.46) MEN1KMT2APOLBNPSR1HPGD
SCHEMBL8277125 0.84 NPC1 (0.55) MEN1KMT2ANPSR1MAPTSMN1; SMN2
SCHEMBL1156330 0.84 NR2F2 (0.56) MEN1KMT2APOLBNPSR1HPGD
SCHEMBL10293271 0.84 MEN1 (0.53) MEN1KMT2APOLBNPSR1MAPT
SCHEMBL10293175 0.84 NAMPT (0.47) POLBALDH1A1MAPTSMN1; SMN2NR2F2
SCHEMBL10293150 0.84 CNR1 (0.52) MEN1KMT2ACNR1CNR2
SCHEMBL8276962 0.84 NPC1 (0.57) MEN1KMT2ANPSR1MAPTSMN1; SMN2

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 3808/4885POLB 4878/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MEN1 3121/4885KMT2A 3808/4885POLB 4878/4885

“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.