SCHEMBL309236

SCHEMBL309236

C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 2/20 0.48
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
HSD11B1 P28845 3/20 0.44
EPHX2 P34913 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44

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
SCHEMBL309799 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1GAAJAK2
SCHEMBL309809 0.83 MEN1 (0.55) MEN1KMT2AGAAHSD11B1EPHX2
SCHEMBL308589 0.83 MEN1 (0.55) MEN1KMT2AGAAHSD11B1EPHX2
SCHEMBL308532 0.82 EPHX2 (0.47) MEN1KMT2AALDH1A1GAATRPV4
SCHEMBL14132639 0.82 EPHX2 (0.47) MEN1KMT2AALDH1A1GAATRPV4
SCHEMBL3710334 0.81 MAPT (0.62) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL5250746 0.81 MAPT (0.62) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL28201970 0.81 GLA (0.54) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL1944641 0.81 MAPT (0.62) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL17346 0.81 L3MBTL1 (0.51) ALDH1A1GAACYP3A4CYP2D6NFKB1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 US disclosed
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 US disclosed
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 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
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
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
WO-2010007072-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO disclosed
WO-2010007072-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 WO disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 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 (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 MEN1 4136/4885KMT2A 3821/4885ALDH1A1 3984/4885
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C MEN1 3613/4885KMT2A 2770/4885ALDH1A1 3958/4885
US-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D MEN1 4136/4885KMT2A 3821/4885ALDH1A1 3984/4885

“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.