SCHEMBL478132

SCHEMBL478132

COCCCC1CCCCN1c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(CC(C)C)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.55
PSEN2 P49810 4/20 0.55
APH1B Q8WW43 4/20 0.55
NCSTN Q92542 4/20 0.55
APH1A Q96BI3 4/20 0.55
PSENEN Q9NZ42 4/20 0.55
APP P05067 2/20 0.44
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CHRM3 P20309 3/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
MDM2 Q00987 1/20 0.34
MCHR1 Q99705 1/20 0.33
MC4R P32245 1/20 0.33
KCNH2 Q12809 2/20 0.33
GCGR P47871 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL478129 1.00 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478130 1.00 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012801 0.94 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478193 0.93 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478191 0.93 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478190 0.93 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10130240 0.91 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL477995 0.89 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478033 0.88 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478099 0.86 PSEN1 (0.56) 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 3 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
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.