SCHEMBL12013296

SCHEMBL12013296

CCOC(=O)C(CC(C)C)c1cc(-c2ccc(CF)cc2)cc(-c2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
WNT3A P56704 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL478088 0.88 PSEN1 (0.57) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL12013169 0.83 CTSL (0.46) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL478173 0.74 PSEN1 (0.57) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL478118 0.74 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478284 0.74 PSEN1 (0.65) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL2902433 0.73 CTSL (0.41) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL12013338 0.73 CTSL (0.46) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL12013340 0.72 PSEN1 (0.37) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL478231 0.71 PSEN1 (0.58) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL12013107 0.71 FFAR4 (0.41) CTSKCTSLPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 CTSK 124/4885CTSL 106/4885PSEN1 3/4885

“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.