SCHEMBL309691

SCHEMBL309691

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
TGM2 P21980 11/20 0.49
F13A1 P00488 9/20 0.49
TGM1 P22735 6/20 0.49
MAPT P10636 1/20 0.49
GPR119 Q8TDV5 2/20 0.48
TGM3 Q08188 1/20 0.48
STS P08842 1/20 0.46
P2RY14 Q15391 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL308426 0.87 TGM2 (0.53) EPHX2TGM2F13A1TGM1MAPT
SCHEMBL7998454 0.86 TGM2 (0.49) TGM2F13A1TGM1MAPTGPR119
SCHEMBL10042199 0.85 EPHX2 (0.53) EPHX2TGM2F13A1TGM1MAPT
SCHEMBL308879 0.83 EPHX2 (0.50) EPHX2MAPTGPR119STSMEN1
SCHEMBL309243 0.82 TGM2 (0.64) EPHX2TGM2F13A1TGM1MAPT
SCHEMBL2512179 0.81 TGM2 (0.55) EPHX2TGM2F13A1TGM1GPR119
SCHEMBL20495447 0.81 GPR119 (0.53) MAPTGPR119STSMEN1ALDH1A1
SCHEMBL5436795 0.81 TGM2 (0.54) TGM2F13A1TGM1GPR119TGM3
SCHEMBL2312877 0.81 LMNA (0.62) TGM2F13A1TGM1STS
SCHEMBL15916140 0.80 EPHX2 (0.55) EPHX2MAPTMEN1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2313413-B1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2012-05-16 EP disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US disclosed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 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 (3 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D EPHX2 3915/4885TGM2 2597/4885F13A1 4570/4885
US-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D EPHX2 3915/4885TGM2 2597/4885F13A1 4570/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 EPHX2 4441/4885TGM2 2441/4885F13A1 4492/4885

“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.