SCHEMBL2225818

SCHEMBL2225818

Cc1cc(OCF)ccc1S(=O)(=O)N1CCN(C(=O)c2cccc3cccnc23)[C@@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALOX15 P16050 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
FABP1 P07148 1/20 0.39

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
SCHEMBL2227249 0.88 KMT2A (0.46) ALDH1A1GAASMN1; SMN2MAPK1HTT
SCHEMBL2226486 0.85 EPHX2 (0.39) EPHX2ALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL2224696 0.84 FABP1 (0.45) EPHX2ALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL6878579 0.78 KMT2A (0.41) ALDH1A1GAASMN1; SMN2MAPK1HTT
SCHEMBL6879902 0.77 HCRTR2 (0.45) EPHX2ALDH1A1GAASMN1; SMN2HTT
SCHEMBL14777464 0.76 KMT2A (0.45) GAASMN1; SMN2TSHRHCRTR1HCRTR2
SCHEMBL12965392 0.76 GAA (0.42) EPHX2GAASMN1; SMN2TP53HCRTR1
SCHEMBL2223375 0.76 FABP1 (0.42) EPHX2ALDH1A1GAASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL1430239 0.75 GAA (0.41) EPHX2GAASMN1; SMN2TP53HCRTR1
SCHEMBL2222986 0.73 KMT2A (0.45) ALDH1A1GAASMN1; SMN2TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US claimed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO 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 (1 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-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C EPHX2 3815/4885ALDH1A1 3958/4885GAA 3715/4885

“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.