SCHEMBL10293244

SCHEMBL10293244

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.46
POLB P06746 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HPGD P15428 1/20 0.43
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1156330 0.89 NR2F2 (0.56) NR2F2POLBMEN1KMT2ANPSR1
SCHEMBL1156443 0.87 HPGD (0.51) NR2F2POLBMEN1KMT2ANPSR1
SCHEMBL1155933 0.87 MEN1 (0.61) POLBMEN1KMT2ANPSR1HPGD
SCHEMBL10293192 0.86 MEN1 (0.47) NR2F2POLBMEN1KMT2ANPSR1
SCHEMBL8278394 0.86 CNR1 (0.47) POLBMEN1KMT2ANPSR1HPGD
SCHEMBL10293205 0.85 HRH4 (0.53) POLBMEN1KMT2ANPSR1HPGD
SCHEMBL10293247 0.85 NPSR1 (0.54) NR2F2MEN1KMT2ANPSR1HPGD
SCHEMBL8275504 0.84 MEN1 (0.45) NR2F2POLBMEN1KMT2ANPSR1
SCHEMBL8276726 0.84 KDM4E (0.50) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL10293102 0.84 CNR1 (0.60) NR2F2MEN1KMT2ANPSR1HPGD

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 NR2F2 3681/4885POLB 4878/4885MEN1 3121/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C NR2F2 3681/4885POLB 4878/4885MEN1 3121/4885

“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.