SCHEMBL10293102

SCHEMBL10293102

CC1CC(C)CN(S(=O)(=O)c2ccc3[nH]c(C(=O)N(C)Cc4ccccc4)cc3c2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.60
CNR2 P34972 4/20 0.60
ATM Q13315 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RXFP1 Q9HBX9 2/20 0.53
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR2F2 P24468 1/20 0.43

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
SCHEMBL10293151 0.90 ATM (0.57) CNR1CNR2ATMMEN1KMT2A
SCHEMBL10293178 0.87 ATM (0.60) ATMMEN1KMT2ARXFP1ALDH1A1
SCHEMBL1156330 0.84 NR2F2 (0.56) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL10293244 0.84 NR2F2 (0.46) CNR1CNR2MEN1KMT2ARXFP1
SCHEMBL10293247 0.84 NPSR1 (0.54) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL10293155 0.83 CNR1 (0.59) CNR1CNR2ALDH1A1KDM4ELMNA
SCHEMBL1156443 0.83 HPGD (0.51) CNR1CNR2MEN1KMT2ARXFP1
SCHEMBL10259907 0.83 CNR1 (0.67) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL10293115 0.81 CNR1 (0.60) CNR1CNR2MEN1KMT2AKDM4E
SCHEMBL8276805 0.81 CNR1 (0.70) CNR1CNR2MEN1KMT2AALDH1A1

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 CNR1 180/4885CNR2 162/4885ATM 4549/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C CNR1 180/4885CNR2 162/4885ATM 4549/4885

“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.