SCHEMBL2634867

SCHEMBL2634867

O=C1NCCC12CCCN(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
USP2 O75604 1/20 0.44
IDO1 P14902 1/20 0.41
CNR1 P21554 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OTUD7B Q6GQQ9 1/20 0.39
NAMPT P43490 2/20 0.38
LOX P28300 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL2635256 0.95 CYP3A4 (0.44) CYP3A4USP2IDO1CNR1L3MBTL1
SCHEMBL2635011 0.93 CYP3A4 (0.39) CYP3A4USP2IDO1CNR1L3MBTL1
SCHEMBL2635553 0.92 CNR1 (0.42) CYP3A4USP2IDO1CNR1L3MBTL1
SCHEMBL2635300 0.92 IDO1 (0.40) CYP3A4USP2IDO1CNR1L3MBTL1
SCHEMBL2634767 0.89 HTT (0.47) CYP3A4USP2CNR1L3MBTL1SMN1; SMN2
SCHEMBL2635087 0.89 CYP3A4 (0.39) CYP3A4USP2IDO1CNR1L3MBTL1
SCHEMBL2635794 0.88 ALDH1A1 (0.49) CYP3A4USP2L3MBTL1ALDH1A1NAMPT
SCHEMBL2637373 0.85 IDO1 (0.49) CYP3A4USP2IDO1CNR1L3MBTL1
SCHEMBL2635267 0.84 HTT (0.47) CYP3A4USP2CNR1L3MBTL1SMN1; SMN2
SCHEMBL2635754 0.84 ALDH1A1 (0.49) CYP3A4USP2L3MBTL1ALDH1A1NAMPT

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-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US claimed
EP-2569317-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2013-03-20 EP claimed
WO-2011141728-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-11-17 WO claimed
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US disclosed
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US disclosed
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US disclosed
EP-2569317-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2013-03-20 EP disclosed
WO-2011141728-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-11-17 WO disclosed
WO-2011141728-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-11-17 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-20130109711-A1 NOVEL COMPOUNDS TRPV2, CACNA1C, CACNA1B CYP3A4 3523/4885USP2 3817/4885IDO1 4780/4885

“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.