SCHEMBL1947016

SCHEMBL1947016

O=C(c1ccncc1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 1.00
CNR1 P21554 7/20 0.69
ATM Q13315 1/20 0.60
CYP3A4 P08684 5/20 0.55
TSHR P16473 4/20 0.55
HIF1A Q16665 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 3/20 0.54
USP2 O75604 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KCNH2 Q12809 1/20 0.52
CYP2C19 P33261 1/20 0.51

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
SCHEMBL1945511 0.90 L3MBTL1 (0.81) L3MBTL1CNR1ATMTSHRALDH1A1
SCHEMBL1945062 0.89 L3MBTL1 (0.80) L3MBTL1CNR1ATMSMN1; SMN2GAA
SCHEMBL4270479 0.89 L3MBTL1 (0.80) L3MBTL1CNR1USP2SMN1; SMN2GAA
SCHEMBL1946969 0.81 L3MBTL1 (0.68) L3MBTL1CNR1ATMTSHRSMN1; SMN2
SCHEMBL4266710 0.80 GAA (0.67) L3MBTL1CNR1SMN1; SMN2GAA
SCHEMBL4272380 0.80 L3MBTL1 (0.66) L3MBTL1CNR1GAAKCNH2
SCHEMBL12761129 0.79 L3MBTL1 (0.75) L3MBTL1ATMSMN1; SMN2GAAALDH1A1
SCHEMBL1429762 0.79 L3MBTL1 (0.77) L3MBTL1CNR1ATMCYP3A4SMN1; SMN2
SCHEMBL18711446 0.79 CNR1 (0.64) L3MBTL1CNR1SMN1; SMN2GAAKCNH2
SCHEMBL752734 0.79 L3MBTL1 (0.65) L3MBTL1ATMSMN1; SMN2GAAALDH1A1

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 4629/4885CNR1 303/4885ATM 4320/4885

“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.