Sugi Predict

Sugi Predict / Compounds / SCHEMBL8056570

SCHEMBL8056570

SCHEMBL8056570

CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccccc3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.57
▸ PSEN2 P49810 2/20 0.57
▸ APH1B Q8WW43 2/20 0.57
▸ NCSTN Q92542 2/20 0.57
▸ APH1A Q96BI3 2/20 0.57
▸ PSENEN Q9NZ42 2/20 0.57
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ APP P05067 1/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ CHRM4 P08173 1/20 0.43
▸ MDM2 Q00987 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ SIGMAR1 Q99720 3/20 0.40
▸ ATM Q13315 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39

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
SCHEMBL477892 1.00 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478206 0.97 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012808 0.94 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478171 0.93 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478123 0.92 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478062 0.92 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478144 0.91 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478163 0.91 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478245 0.91 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478292 0.90 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A

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 6 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-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 — — US disclosed
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 — — EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 — — WO disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 — — 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 PSEN1 3/4885PSEN2 5/4885APH1B 7/4885

“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.