SCHEMBL556462

SCHEMBL556462

C[C@H]1C[C@H](c2ccc(F)c(F)c2)[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
RORC P51449 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
DPP4 P27487 1/20 0.37
NTRK1 P04629 3/20 0.37
TACR1 P25103 3/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP30 Q70CQ3 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GPR88 Q9GZN0 1/20 0.35

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
SCHEMBL556872 0.85 NR1H2 (0.37) PDE4BRORCNR1H2NR1H3DPP4
SCHEMBL557595 0.85 PDE4B (0.43) PDE4BNR1H2NR1H3DPP4NTRK1
SCHEMBL556599 0.82 CYP1A2 (0.35) PDE4BRORCNR1H2NR1H3DPP4
SCHEMBL23013151 0.81 TACR1 (0.43) PDE4BRORCNR1H2NR1H3DPP4
SCHEMBL29481460 0.81 TACR1 (0.43) PDE4BRORCNR1H2NR1H3DPP4
SCHEMBL557355 0.80 PDE4B (0.52) PDE4BRORCDPP4TACR1USP30
SCHEMBL557356 0.80 PDE4B (0.52) PDE4BRORCDPP4TACR1USP30
SCHEMBL557357 0.80 PDE4B (0.52) PDE4BRORCDPP4TACR1USP30
SCHEMBL13093181 0.77 NTRK1 (0.40) PDE4BRORCNR1H2NR1H3DPP4
SCHEMBL19271005 0.76 PDE4B (0.51) PDE4BRORCDPP4TACR1USP30

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 PDE4B 357/4885RORC 2021/4885NR1H2 778/4885

“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.