SCHEMBL2273157

SCHEMBL2273157

OC1CN(c2cccn3nc(NC4CCN(c5ccnc(Cl)c5)CC4)nc23)CCC12CC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
JAK1 P23458 17/20 0.38
PI4KB Q9UBF8 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL2273148 1.00 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2275601 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2268900 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2273573 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12455242 0.75 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12454021 0.74 JAK1 (0.40) JAK1JAK2
SCHEMBL2270188 0.74 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2274214 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2277262 0.73 JAK2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271975 0.73 JAK2 (0.44) 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
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-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.