SCHEMBL478025

SCHEMBL478025

COC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
P2RY14 Q15391 10/20 0.44
TMEM97 Q5BJF2 5/20 0.43
SIGMAR1 Q99720 5/20 0.43
DRD5 P21918 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRB3 P13945 4/20 0.43
DRD1 P21728 3/20 0.43
ADRA1B P35368 3/20 0.43
APP P05067 1/20 0.43
HTR2C P28335 2/20 0.42

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
SCHEMBL1592619 0.93 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478090 0.92 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478077 0.89 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012810 0.89 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8045197 0.82 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478232 0.82 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491307 0.81 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12013338 0.80 CTSL (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL477931 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12703248 0.80 PSEN1 (0.65) 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 8 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
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
EP-2209764-A1 GSM INTERMEDIATES Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP 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
WO-2009052341-A1 GSM INTERMEDIATES 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

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.