SCHEMBL2635565

SCHEMBL2635565

O=C1NCCCC12CCCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SLC6A9 P48067 1/20 0.39
SCN9A Q15858 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP21A2 P08686 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP7A1 P22680 1/20 0.38
OTUD7B Q6GQQ9 2/20 0.38
AKR1C3 P42330 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
NR3C1 P04150 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL2635298 0.96 KDM2B (0.41) KDM2BCYP11B1CYP11B2MEN1KMT2A
SCHEMBL2637431 0.90 MEN1 (0.45) KDM2BCYP11B1CYP11B2MEN1KMT2A
SCHEMBL2635545 0.89 MEN1 (0.46) KDM2BMEN1KMT2APOLBMAPT
SCHEMBL2635247 0.88 KDM2B (0.41) KDM2BMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL2635267 0.85 HTT (0.47) MEN1KMT2ACYP3A4SMN1; SMN2USP2
SCHEMBL2635511 0.84 MEN1 (0.46) KDM2BMEN1KMT2APOLBMAPT
SCHEMBL2636070 0.84 KDM2B (0.41) KDM2BMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL2637486 0.83 MEN1 (0.46) KDM2BCYP11B1CYP11B2MEN1KMT2A
SCHEMBL2634767 0.81 HTT (0.47) MEN1KMT2ACYP3A4SMN1; SMN2USP2
SCHEMBL2635036 0.79 S100A9 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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 KDM2B 4602/4885CYP11B1 4299/4885CYP11B2 3292/4885

“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.