SCHEMBL478176

SCHEMBL478176

CCC(c1ccc(C(F)(F)F)cc1)N1CCCC(c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@@H](CC(C)C)C(=O)O)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.56
PSEN2 P49810 5/20 0.56
APH1B Q8WW43 5/20 0.56
NCSTN Q92542 5/20 0.56
APH1A Q96BI3 5/20 0.56
PSENEN Q9NZ42 5/20 0.56
APP P05067 1/20 0.44
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
KCNH2 Q12809 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
BCL9 O00512 4/20 0.36
CTNNB1 P35222 4/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
GCGR P47871 2/20 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
SCHEMBL478175 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478159 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478160 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478273 0.93 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478068 0.93 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478066 0.93 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012781 0.93 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478274 0.93 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012782 0.93 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478043 0.93 PSEN1 (0.59) 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 11 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
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
US-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 US disclosed
US-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 US disclosed
US-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 US 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
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 (2 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
US-20090306392-A1 GSM INTERMEDIATES BACE1, GSAP, PSEN1 PSEN1 3/4885PSEN2 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.