SCHEMBL2223612

SCHEMBL2223612

O=C(c1cccc2ccncc12)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
LMNA P02545 3/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SPR P35270 1/20 0.46
RORC P51449 1/20 0.45
HSD11B1 P28845 1/20 0.44

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
Hydrochloric Acid SCHEMBL14777693 0.99 L3MBTL1 (0.54) L3MBTL1LMNAATMALDH1A1SMN1; SMN2
SCHEMBL2228557 0.92 L3MBTL1 (0.55) L3MBTL1LMNAATMALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL14777835 0.91 L3MBTL1 (0.54) L3MBTL1LMNAATMALDH1A1SMN1; SMN2
SCHEMBL2226654 0.84 CNR1 (0.42) L3MBTL1LMNAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL2225123 0.84 CNR1 (0.42) L3MBTL1LMNAALDH1A1KMT2AMEN1
SCHEMBL2223362 0.82 L3MBTL1 (0.52) L3MBTL1LMNAATMALDH1A1SMN1; SMN2
SCHEMBL2223842 0.82 HSD11B1 (0.53) L3MBTL1LMNAATMALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL14777588 0.81 HSD11B1 (0.53) L3MBTL1LMNAATMALDH1A1SMN1; SMN2
SCHEMBL2225781 0.81 HSD11B1 (0.53) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL14777336 0.81 L3MBTL1 (0.51) L3MBTL1LMNAATMALDH1A1SMN1; SMN2

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
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US claimed
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 L3MBTL1 4004/4885LMNA 2413/4885ATM 4611/4885

“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.