SCHEMBL3014559

SCHEMBL3014559

CCOC(=O)[C@H]1CCNC[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
PKM P14618 1/20 0.67
ALDH1A1 P00352 1/20 0.44
AKT1 P31749 7/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
AKT2 P31751 2/20 0.41
REN P00797 1/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SGK1 O00141 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KB1 P23443 1/20 0.40
PRKCQ Q04759 1/20 0.40
ROCK1 Q13464 1/20 0.40
RPS6KA1 Q15418 1/20 0.40

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
SCHEMBL7920775 1.00 MAPT (0.67) MAPTPKMALDH1A1AKT1KDM1A
SCHEMBL3014557 1.00 MAPT (0.67) MAPTPKMALDH1A1AKT1KDM1A
SCHEMBL17485280 0.91 MAPT (0.54) MAPTPKMALDH1A1AKT1AKT2
SCHEMBL1105739 0.85 MAPT (0.72) MAPTPKMALDH1A1AKT1
SCHEMBL3209495 0.81 MAPT (0.97) MAPTPKMALDH1A1KCNH2
SCHEMBL28660767 0.81 MAPT (0.97) MAPTPKMALDH1A1KCNH2
SCHEMBL1095808 0.81 MAPT (0.97) MAPTPKMALDH1A1KCNH2
SCHEMBL3007095 0.81 MAPT (0.97) MAPTPKMALDH1A1KCNH2
SCHEMBL1105979 0.81 MAPT (0.97) MAPTPKMALDH1A1KCNH2
SCHEMBL12617850 0.81 MAPT (0.74) MAPTPKM

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-2391615-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-01-16 EP disclosed
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
EP-2391615-A1 Piperidine derivatives as nk3 receptor antagonists F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 US disclosed
WO-2010086259-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO 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-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRK1, OPRM1, OPRL1 MAPT 292/4885PKM 584/4885ALDH1A1 692/4885

“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.