SCHEMBL1429623

SCHEMBL1429623

CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.79
KDM4E B2RXH2 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 2/20 0.60
HPGD P15428 1/20 0.60
ALDH1A1 P00352 1/20 0.59
RXFP1 Q9HBX9 1/20 0.58
MEN1 O00255 3/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 2/20 0.52
HSD11B1 P28845 1/20 0.52
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.48

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
SCHEMBL1429677 0.89 KMT2A (0.75) KMT2AKDM4ESMN1; SMN2GAAHPGD
SCHEMBL1430395 0.87 KMT2A (0.68) KMT2AKDM4ESMN1; SMN2GAAHPGD
SCHEMBL1429869 0.86 KMT2A (0.58) KMT2AKDM4ESMN1; SMN2GAAALDH1A1
SCHEMBL1429791 0.83 KMT2A (0.78) KMT2AKDM4ESMN1; SMN2GAAHPGD
SCHEMBL2223842 0.82 HSD11B1 (0.53) KMT2AKDM4ESMN1; SMN2GAAALDH1A1
Hydrochloric Acid SCHEMBL14777588 0.81 HSD11B1 (0.53) KMT2AKDM4ESMN1; SMN2GAAALDH1A1
SCHEMBL2225781 0.81 HSD11B1 (0.53) KMT2AKDM4EGAAHPGDALDH1A1
Hydrochloric Acid SCHEMBL14778505 0.80 HSD11B1 (0.52) KMT2AKDM4EGAAHPGDALDH1A1
SCHEMBL1945700 0.79 HSD11B1 (0.55) KMT2AGAAALDH1A1MEN1HSD11B1
SCHEMBL2225357 0.78 HSD11B1 (0.50) KMT2ASMN1; SMN2GAAALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US claimed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP claimed
JP-2011528020-A 2011-11-10 JP claimed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP claimed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US claimed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO claimed
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP 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

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-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D KMT2A 3821/4885KDM4E 3426/4885SMN1; SMN2 809/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 KMT2A 2387/4885KDM4E 2248/4885SMN1; SMN2 463/4885

“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.