SCHEMBL3035909

SCHEMBL3035909

Cn1cc(C(=O)N2CCC(C(C)(C)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.61
NR1I2 O75469 4/20 0.61
CYP3A4 P08684 3/20 0.61
MAPK1 P28482 1/20 0.45
PROKR1 Q8TCW9 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
RBP4 P02753 1/20 0.45
HSD11B1 P28845 1/20 0.45
MGLL Q99685 1/20 0.44
CNR1 P21554 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
SCHEMBL3035079 0.86 CACNA1B (0.68) CACNA1BNR1I2CYP3A4LMNAPOLB
SCHEMBL3025674 0.85 CACNA1B (0.67) CACNA1BNR1I2CYP3A4LMNAPOLB
SCHEMBL3035904 0.85 CACNA1B (0.67) CACNA1BNR1I2CYP3A4LMNAPOLB
SCHEMBL3045464 0.85 CACNA1B (0.61) CACNA1BNR1I2CYP3A4POLBHPGD
SCHEMBL3030954 0.84 CACNA1B (0.66) CACNA1BNR1I2CYP3A4LMNAPOLB
SCHEMBL15103436 0.84 CACNA1B (0.66) CACNA1BNR1I2CYP3A4LMNAPOLB
SCHEMBL8040357 0.84 CACNA1B (0.66) CACNA1BNR1I2CYP3A4LMNAPOLB
SCHEMBL3038729 0.84 CACNA1B (0.61) CACNA1BNR1I2CYP3A4LMNAPOLB
SCHEMBL3036276 0.83 CACNA1B (0.54) CACNA1BNR1I2CYP3A4MAPK1CNR1
SCHEMBL3030376 0.83 CACNA1B (0.65) CACNA1BNR1I2CYP3A4LMNAPOLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP claimed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US claimed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US claimed
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 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-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers TRPV1, TRPA1, CACNA1D CACNA1B 23/4885NR1I2 765/4885CYP3A4 939/4885
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D CACNA1B 23/4885NR1I2 765/4885CYP3A4 939/4885

“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.