SCHEMBL3718844

SCHEMBL3718844

C[C@H]1CNCCN1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.61
PSEN2 P49810 5/20 0.61
APH1B Q8WW43 5/20 0.61
NCSTN Q92542 5/20 0.61
APH1A Q96BI3 5/20 0.61
PSENEN Q9NZ42 5/20 0.61
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.50
ACHE P22303 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRKD3 O94806 2/20 0.47
PRKCG P05129 2/20 0.47
PRKCB P05771 2/20 0.47
PRKCA P17252 2/20 0.47
PRKACA P17612 2/20 0.47
PRKACG P22612 2/20 0.47
PRKACB P22694 2/20 0.47
PRKCH P24723 2/20 0.47
PRKCI P41743 2/20 0.47

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
SCHEMBL7892632 1.00 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1429753 0.99 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1714375 0.85 L3MBTL1 (0.58) LMNAACHEMEN1KMT2APRKD3
SCHEMBL16442259 0.85 L3MBTL1 (0.58) LMNAACHEMEN1KMT2APRKD3
SCHEMBL5635569 0.85 L3MBTL1 (0.58) LMNAACHEMEN1KMT2APRKD3
SCHEMBL10042202 0.83 MMP1 (0.65) MAPTLMNASMN1; SMN2TSHRHTT
SCHEMBL10071024 0.82 PRKCD (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6410896 0.82 HSD11B1 (0.48) LMNAMEN1KMT2APRKD3PRKCG
SCHEMBL7991187 0.82 HSD11B1 (0.48) LMNAMEN1KMT2APRKD3PRKCG
Hydrochloric Acid SCHEMBL308298 0.81 HSD11B1 (0.47) LMNAMEN1KMT2APRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 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
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 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
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
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 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-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 (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-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D PSEN1 416/4885PSEN2 190/4885APH1B 2083/4885
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CACNA1B, CACNA1C, CACNB2 PSEN1 304/4885PSEN2 169/4885APH1B 1601/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 PSEN1 207/4885PSEN2 130/4885APH1B 2484/4885

“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.