SCHEMBL1948321

SCHEMBL1948321

O=C(c1cc(Cl)ccn1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 6/20 0.54
CNR1 P21554 5/20 0.53
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
POLB P06746 1/20 0.52
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
HSD11B1 P28845 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 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
SCHEMBL1946160 0.89 LMNA (0.59) L3MBTL1GAACNR1NPSR1POLB
SCHEMBL1945728 0.87 L3MBTL1 (0.56) L3MBTL1GAACNR1ALDH1A1SMN1; SMN2
SCHEMBL1945685 0.83 GAA (0.77) L3MBTL1GAAALDH1A1HTTSMN1; SMN2
SCHEMBL1946390 0.83 ALDH1A1 (0.42) L3MBTL1GAACNR1ALDH1A1NPSR1
SCHEMBL1946064 0.83 GAA (0.60) L3MBTL1GAACNR1ALDH1A1HTT
SCHEMBL2224443 0.80 ALDH1A1 (0.59) L3MBTL1GAACNR1ALDH1A1NPSR1
SCHEMBL1949051 0.79 L3MBTL1 (0.64) L3MBTL1GAACNR1ALDH1A1NPSR1
SCHEMBL1945511 0.79 L3MBTL1 (0.81) L3MBTL1CNR1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL14777228 0.79 ALDH1A1 (0.58) L3MBTL1GAACNR1ALDH1A1NPSR1
SCHEMBL1429710 0.78 L3MBTL1 (0.59) L3MBTL1GAACNR1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP claimed
JP-2011528019-A 2011-11-10 JP claimed
EP-2346828-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-07-27 EP claimed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US claimed
WO-2010007072-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO claimed
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-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
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 L3MBTL1 4629/4885GAA 3695/4885CNR1 303/4885

“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.