SCHEMBL557124

SCHEMBL557124

CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCC1c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
PDE4B Q07343 7/20 0.47
DPP4 P27487 1/20 0.47
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
TACR3 P29371 1/20 0.42
ADAMTS5 Q9UNA0 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 0.92 PDE4B (0.47) TACR1PDE4BDPP4PDE4APDE4C
SCHEMBL7914442 0.92 PDE4B (0.47) TACR1PDE4BDPP4PDE4APDE4C
SCHEMBL3012198 0.92 PDE4B (0.47) TACR1PDE4BDPP4PDE4APDE4C
SCHEMBL16108740 0.89 PDE4B (0.60) TACR1PDE4B
SCHEMBL19473653 0.89 TACR1 (0.49) TACR1PDE4BDPP4PDE4APDE4C
SCHEMBL19473654 0.89 TACR1 (0.49) TACR1PDE4BDPP4PDE4APDE4C
SCHEMBL16108739 0.89 PDE4B (0.60) TACR1PDE4B
SCHEMBL5450901 0.89 TACR1 (0.49) TACR1PDE4BDPP4PDE4APDE4C
SCHEMBL5729559 0.89 TACR1 (0.49) TACR1PDE4BDPP4PDE4APDE4C
SCHEMBL17485210 0.89 TACR1 (0.49) TACR1PDE4BDPP4PDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 TACR1 205/4885PDE4B 357/4885DPP4 20/4885

“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.