SCHEMBL2275181

SCHEMBL2275181

Fc1ccc(-c2cc(Cl)cn3nc(NC4CCN(c5ccnc(C(F)(F)F)c5)CC4)nc23)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.43
PSEN2 P49810 11/20 0.43
APH1B Q8WW43 11/20 0.43
NCSTN Q92542 11/20 0.43
APH1A Q96BI3 11/20 0.43
PSENEN Q9NZ42 11/20 0.43
PI4KB Q9UBF8 1/20 0.43
CNR2 P34972 5/20 0.39
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CNR1 P21554 4/20 0.36
KCNH2 Q12809 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 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
SCHEMBL2275964 0.95 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271079 0.92 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17915337 0.89 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271235 0.89 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271893 0.82 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271070 0.81 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2272308 0.80 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2274709 0.79 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2274214 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2272440 0.77 PSEN1 (0.50) 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
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 10/4885

“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.