SCHEMBL6880993

SCHEMBL6880993

C[C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)cc2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
DHCR7 Q9UBM7 1/20 0.44
PKM P14618 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.42
PKLR P30613 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 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
Hydrochloric Acid SCHEMBL2226030 0.99 ALDH1A1 (0.45) SMN1; SMN2LMNAALDH1A1DHCR7PKM
SCHEMBL308589 0.82 MEN1 (0.55) MEN1KMT2AGAA
SCHEMBL309809 0.82 MEN1 (0.55) MEN1KMT2AGAA
SCHEMBL17100765 0.81 MAPT (0.58) SMN1; SMN2LMNAALDH1A1PKMMEN1
SCHEMBL5250746 0.78 MAPT (0.62) SMN1; SMN2LMNAALDH1A1PKMMEN1
SCHEMBL1944641 0.78 MAPT (0.62) SMN1; SMN2LMNAALDH1A1PKMMEN1
SCHEMBL28201970 0.78 GLA (0.54) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL3710334 0.78 MAPT (0.62) SMN1; SMN2LMNAALDH1A1PKMMEN1
SCHEMBL17346 0.78 L3MBTL1 (0.51) LMNAALDH1A1PKMGAACYP3A4
SCHEMBL309236 0.77 MEN1 (0.54) ALDH1A1MEN1KMT2AGAACYP3A4

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 4 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
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
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 SMN1; SMN2 561/4885LMNA 2413/4885ALDH1A1 3958/4885

“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.