SCHEMBL1944641

SCHEMBL1944641

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
POLB P06746 2/20 0.59
LMNA P02545 1/20 0.59
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 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
SCHEMBL3710334 1.00 MAPT (0.62) MAPTKMT2AMEN1POLBLMNA
SCHEMBL5250746 1.00 MAPT (0.62) MAPTKMT2AMEN1POLBLMNA
SCHEMBL28201970 0.85 GLA (0.54) MAPTKMT2AMEN1POLBLMNA
SCHEMBL17346 0.84 L3MBTL1 (0.51) POLBLMNAL3MBTL1ACHEALDH1A1
Hydrochloric Acid SCHEMBL16427 0.83 L3MBTL1 (0.50) POLBLMNAL3MBTL1ALDH1A1PKM
Hydrochloric Acid SCHEMBL16426 0.83 L3MBTL1 (0.50) POLBLMNAL3MBTL1ALDH1A1PKM
SCHEMBL2285952 0.82 GAA (0.48) MAPTKMT2AMEN1LMNAL3MBTL1
SCHEMBL2285945 0.82 GAA (0.48) MAPTKMT2AMEN1LMNAL3MBTL1
SCHEMBL309799 0.81 MEN1 (0.54) KMT2AMEN1L3MBTL1ALDH1A1CYP3A4
SCHEMBL309236 0.81 MEN1 (0.54) KMT2AMEN1L3MBTL1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758884-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2006-02-16 US claimed
WO-2005113542-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2005-12-01 WO claimed
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-2010102663-A1 PIPERAZINE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2010-09-16 WO disclosed
WO-2010102663-A1 PIPERAZINE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2010-09-16 WO 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
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2006-02-16 US 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 (2 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 MAPT 1279/4885KMT2A 2591/4885MEN1 3979/4885
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase BACE1, BACE2, APH1B MAPT 374/4885KMT2A 3354/4885MEN1 2423/4885

“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.