SCHEMBL2227249

SCHEMBL2227249

C[C@H]1CN(S(=O)(=O)c2ccc(OCF)cc2)CCN1C(=O)c1cccc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
MMP1 P03956 1/20 0.41
ADAM17 P78536 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HCRTR1 O43613 8/20 0.40
HCRTR2 O43614 7/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL6878579 0.89 KMT2A (0.41) KMT2AMEN1PKMALDH1A1HCRTR1
SCHEMBL2225818 0.88 EPHX2 (0.43) ALDH1A1HCRTR1HCRTR2GAAMAPK1
SCHEMBL14777464 0.86 KMT2A (0.45) KMT2AMEN1PKMMMP1ADAM17
SCHEMBL2222986 0.83 KMT2A (0.45) KMT2AMEN1PKMADAM17ALDH1A1
SCHEMBL6881181 0.80 KMT2A (0.39) KMT2AMEN1PKMALDH1A1HCRTR1
SCHEMBL2833646 0.78 MEN1 (0.45) KMT2AMEN1PKMHTTSMN1; SMN2
SCHEMBL2833162 0.78 MEN1 (0.45) KMT2AMEN1PKMHTTSMN1; SMN2
SCHEMBL6879902 0.77 HCRTR2 (0.45) ALDH1A1HCRTR1HCRTR2GAAHTT
SCHEMBL2227093 0.77 L3MBTL1 (0.45) KMT2AMEN1PKMALDH1A1GAA
SCHEMBL13373122 0.76 TSHR (0.50) KMT2AMEN1PKMALDH1A1GAA

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 KMT2A 2770/4885MEN1 3613/4885PKM 2945/4885

“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.