SCHEMBL2270102

SCHEMBL2270102

CC(C)(C)OC(=O)N1CCC(Nc2nc3c(-c4ccc(F)cc4Cl)cccn3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.58
PTK2 Q05397 16/20 0.58
JAK2 O60674 15/20 0.58
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
CCNT1 O60563 1/20 0.47

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
SCHEMBL2273885 0.87 PSEN1 (0.49) JAK3PTK2JAK2PSEN1PSEN2
SCHEMBL2272406 0.79 PSEN1 (0.52) JAK3PTK2JAK2PSEN1PSEN2
SCHEMBL2274382 0.78 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2273890 0.77 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2273576 0.77 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12455175 0.77 PSEN1 (0.44) JAK3PTK2JAK2PSEN1PSEN2
SCHEMBL2270941 0.76 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271418 0.76 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2272440 0.76 PSEN1 (0.50) JAK3PTK2JAK2PSEN1PSEN2
SCHEMBL2274082 0.76 PSEN1 (0.46) JAK3PTK2JAK2PSEN1PSEN2

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 5 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
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP 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

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 JAK3 4312/4885PTK2 1849/4885JAK2 3153/4885

“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.