SCHEMBL2225804

SCHEMBL2225804

O=C(c1cccc2cccnc12)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
HSD11B1 P28845 5/20 0.52
SPR P35270 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCR3 P51677 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL2223842 0.85 HSD11B1 (0.53) MAPTMEN1KMT2ALMNAHSD11B1
Hydrochloric Acid SCHEMBL14777588 0.84 HSD11B1 (0.53) MAPTMEN1KMT2ALMNAHSD11B1
SCHEMBL1430395 0.83 KMT2A (0.68) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL16087246 0.82 LMNA (0.56) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL2226775 0.82 GAA (0.64) MEN1KMT2ALMNAPOLBGAA
SCHEMBL1945701 0.81 LMNA (0.67) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL2224619 0.81 SCN9A (0.55) MEN1KMT2ASPRGAASMN1; SMN2
SCHEMBL2226972 0.80 PKM (0.54) KMT2ALMNAGAASMN1; SMN2ALDH1A1
SCHEMBL14777731 0.80 KMT2A (0.55) MAPTMEN1KMT2ALMNAHSD11B1
SCHEMBL2222236 0.80 PKM (0.53) MAPTMEN1KMT2AGAASMN1; 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 10 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 claimed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US claimed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US claimed
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP claimed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO 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
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

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 MAPT 1478/4885MEN1 3613/4885KMT2A 2770/4885

“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.