SCHEMBL7914442

SCHEMBL7914442

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.47
DPP4 P27487 1/20 0.47
TACR3 P29371 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
ALDH1A1 P00352 1/20 0.43
TACR1 P25103 1/20 0.41

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
SCHEMBL3012199 1.00 PDE4B (0.47) PDE4BDPP4TACR3PDE4APDE4C
SCHEMBL3012198 1.00 PDE4B (0.47) PDE4BDPP4TACR3PDE4APDE4C
SCHEMBL557124 0.92 TACR1 (0.47) PDE4BDPP4TACR3PDE4APDE4C
SCHEMBL13209089 0.89 PDE4B (0.60) PDE4BDPP4TACR3PDE4APDE4C
SCHEMBL3016360 0.89 PDE4B (0.60) PDE4BDPP4TACR3PDE4APDE4C
SCHEMBL14934600 0.89 PDE4B (0.44) PDE4BDPP4TACR3PDE4APDE4C
SCHEMBL14921678 0.89 PDE4B (0.44) PDE4BDPP4TACR3PDE4APDE4C
SCHEMBL3016355 0.89 PDE4B (0.60) PDE4BDPP4TACR3PDE4APDE4C
SCHEMBL14920223 0.89 PDE4B (0.44) PDE4BDPP4TACR3PDE4APDE4C
SCHEMBL18780282 0.89 PDE4B (0.44) PDE4BDPP4TACR3PDE4APDE4C

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
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 US 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 PDE4B 1062/4885DPP4 2530/4885TACR3 97/4885

“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.