SCHEMBL557595

SCHEMBL557595

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
TACR1 P25103 6/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DPP4 P27487 1/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 1/20 0.37
NTRK1 P04629 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL556462 0.85 PDE4B (0.43) PDE4BTACR1HTR2AHTR2CHTR2B
SCHEMBL556475 0.84 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL556872 0.83 NR1H2 (0.37) PDE4BTACR1HTR2AHTR2CHTR2B
SCHEMBL29450303 0.83 PDE4B (0.45) PDE4BTACR1HTR2CNR1H2MEN1
SCHEMBL18617918 0.83 PDE4B (0.45) PDE4BTACR1HTR2CNR1H2MEN1
SCHEMBL18617914 0.83 PDE4B (0.45) PDE4BTACR1HTR2CNR1H2MEN1
SCHEMBL556599 0.81 CYP1A2 (0.35) PDE4BTACR1HTR2AHTR2CHTR2B
SCHEMBL16141292 0.80 PDE4B (0.53) PDE4BTACR1DPP4
SCHEMBL14921794 0.80 PDE4B (0.53) PDE4BTACR1DPP4
SCHEMBL14921796 0.80 PDE4B (0.53) PDE4BTACR1DPP4

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 357/4885TACR1 205/4885HTR2A 3006/4885

“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.