SCHEMBL1945700

SCHEMBL1945700

Cc1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
ALDH1A1 P00352 1/20 0.52
GAA P10253 3/20 0.51
KMT2A Q03164 2/20 0.49
TRPV1 Q8NER1 1/20 0.47
SPR P35270 1/20 0.47
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL1429869 0.86 KMT2A (0.58) HSD11B1L3MBTL1ALDH1A1GAAKMT2A
SCHEMBL1945698 0.84 HSD11B1 (0.52) HSD11B1TRPV1
SCHEMBL7997766 0.84 HSD11B1 (0.48) HSD11B1ALDH1A1GAAKMT2ATRPV1
SCHEMBL1947614 0.84 HSD11B1 (0.52) HSD11B1TRPV1
Hydrochloric Acid SCHEMBL1947130 0.83 HSD11B1 (0.47) HSD11B1ALDH1A1GAAKMT2ATRPV1
SCHEMBL1945685 0.81 GAA (0.77) HSD11B1L3MBTL1ALDH1A1GAAKMT2A
SCHEMBL2227150 0.81 CNR2 (0.54) HSD11B1L3MBTL1ALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL14777768 0.80 CNR2 (0.53) HSD11B1L3MBTL1ALDH1A1GAAKMT2A
SCHEMBL2225357 0.80 HSD11B1 (0.50) HSD11B1L3MBTL1ALDH1A1GAAKMT2A
SCHEMBL1429623 0.79 KMT2A (0.79) HSD11B1L3MBTL1ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2346828-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-07-27 EP disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 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

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-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CACNA1B, CACNA1C, CACNB2 HSD11B1 4820/4885L3MBTL1 4629/4885ALDH1A1 4011/4885

“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.