SCHEMBL2225293

SCHEMBL2225293

Cc1cc(C#N)ccc1S(=O)(=O)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TDO2 P48775 2/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TRPV4 Q9HBA0 2/20 0.45
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PAX8 Q06710 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL308661 0.83 CYP3A4 (0.46) ALDH1A1SMN1; SMN2PKMLMNAGAA
SCHEMBL1429944 0.83 CYP3A4 (0.46) ALDH1A1SMN1; SMN2PKMLMNAGAA
SCHEMBL2281704 0.83 CYP3A4 (0.46) ALDH1A1SMN1; SMN2PKMLMNAGAA
SCHEMBL26064876 0.82 ALDH1A1 (0.77) ALDH1A1TDO2USP2KMT2ASMN1; SMN2
SCHEMBL1430045 0.79 PRKACA (0.47) ALDH1A1KMT2ASMN1; SMN2LMNATRPV4
SCHEMBL694486 0.77 ALDH1A1 (0.57) ALDH1A1USP2KMT2ASMN1; SMN2LMNA
SCHEMBL693746 0.77 ALDH1A1 (0.57) ALDH1A1USP2KMT2AGAABRD4
SCHEMBL14538102 0.77 ALDH1A1 (0.69) ALDH1A1KMT2ASMN1; SMN2PKMLMNA
SCHEMBL4739856 0.77 ALDH1A1 (0.63) ALDH1A1KMT2ASMN1; SMN2LMNABRD4
SCHEMBL2224488 0.76 TGM2 (0.60) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 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-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C ALDH1A1 3958/4885TDO2 3993/4885USP2 2057/4885

“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.