SCHEMBL1948243

SCHEMBL1948243

O=C(c1ccc(-c2ccccn2)cn1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
HTT P42858 1/20 0.50
SCN9A Q15858 2/20 0.49
HSD11B1 P28845 2/20 0.48
CCR6 P51684 2/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
TRPV4 Q9HBA0 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SLC6A7 Q99884 1/20 0.45
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL1946064 0.88 GAA (0.60) GAASMN1; SMN2L3MBTL1HTTSCN9A
SCHEMBL1945685 0.88 GAA (0.77) GAASMN1; SMN2L3MBTL1HTTSCN9A
SCHEMBL2224443 0.80 ALDH1A1 (0.59) GAASMN1; SMN2L3MBTL1SCN9AHSD11B1
Hydrochloric Acid SCHEMBL14777228 0.79 ALDH1A1 (0.58) GAASMN1; SMN2L3MBTL1SCN9AHSD11B1
SCHEMBL4272380 0.77 L3MBTL1 (0.66) GAAL3MBTL1HTTSCN9A
SCHEMBL754340 0.77 GAA (0.73) GAASMN1; SMN2L3MBTL1HSD11B1ABL1
SCHEMBL1947656 0.76 GAA (0.66) GAASMN1; SMN2L3MBTL1HTTHSD11B1
SCHEMBL2225950 0.76 SCN9A (0.62) GAASMN1; SMN2L3MBTL1SCN9AALDH1A1
SCHEMBL1429762 0.76 L3MBTL1 (0.77) SMN1; SMN2L3MBTL1HSD11B1LMNA
Hydrochloric Acid SCHEMBL14778183 0.76 SCN9A (0.61) GAASMN1; SMN2L3MBTL1SCN9AALDH1A1

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 GAA 3695/4885SMN1; SMN2 898/4885L3MBTL1 4629/4885

“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.