SCHEMBL2196648

SCHEMBL2196648

O=C1CC(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H]1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.54
PSEN2 P49810 13/20 0.54
APH1B Q8WW43 13/20 0.54
NCSTN Q92542 13/20 0.54
APH1A Q96BI3 13/20 0.54
PSENEN Q9NZ42 13/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD11B1 P28845 1/20 0.41
CACNA1B Q00975 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
SCHEMBL12510251 1.00 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2200364 0.75 MMP8 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2200359 0.75 MMP8 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2219745 0.72 ACHE (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2195144 0.69 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2197931 0.69 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3670188 0.69 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19013827 0.69 AKR1C3 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19640886 0.69 AKR1C3 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15009887 0.69 ALDH1A1 (0.77) MEN1KMT2AALDH1A1GAAEPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152713-B1 PYRAZOLOPYRROLIDINES AS INHIBITORS OF GAMMA SECRETASE ELAN PHARM INC (US) 2011-09-07 EP disclosed
US-7977368-B2 Pyrazolopyrrolidines as inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977368-B2 Pyrazolopyrrolidines as inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2009-04-16 US 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-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 8/4885

“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.