SCHEMBL2272269

SCHEMBL2272269

Cc1cc(-c2ccc(F)c(F)c2)c2nc(NC3CCN(c4ccncn4)CC3)nn2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.35
CYP2D6 P10635 1/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
PSEN1 P49768 9/20 0.35
PSEN2 P49810 9/20 0.35
APH1B Q8WW43 9/20 0.35
NCSTN Q92542 9/20 0.35
APH1A Q96BI3 9/20 0.35
PSENEN Q9NZ42 9/20 0.35
HRH4 Q9H3N8 3/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
GRM4 Q14833 1/20 0.33
EGFR P00533 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 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
SCHEMBL2275610 0.89 PSEN1 (0.44) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2271694 0.87 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2268867 0.85 PSEN1 (0.38) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2271121 0.84 PSEN1 (0.39) OPRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL2270930 0.83 PSEN1 (0.44) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2274949 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2276052 0.82 PSEN1 (0.43) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2270878 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2268292 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2269993 0.80 JAK2 (0.42) KCNH2PSEN1PSEN2APH1BNCSTN

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP claimed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP claimed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO claimed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US claimed
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
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
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 OPRK1 1880/4885CYP2D6 1705/4885DPP4 3572/4885

“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.