SCHEMBL556468

SCHEMBL556468

C#C[C@H]1C(C(C)(C)C)N(C(=O)O)CC[C@]1(O)c1ccc(F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.34
CNR2 P34972 4/20 0.32
DRD2 P14416 1/20 0.32
RORC P51449 5/20 0.32
MC4R P32245 2/20 0.32
SLC6A3 Q01959 3/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
REN P00797 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A2 P23975 2/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL557091 0.89 CCR2 (0.33) CCR2CNR2DRD2RORCMC4R
SCHEMBL556119 0.83 CNR2 (0.34) CCR2CNR2DRD2MC4RSLC6A3
SCHEMBL556679 0.83 CNR2 (0.35) CCR2CNR2DRD2MC4RSLC6A3
SCHEMBL2430891 0.82 CCR2 (0.38) CCR2CNR2DRD2MC4RSLC6A3
SCHEMBL555701 0.80 SLC6A2 (0.33) CCR2CNR2DRD2MC4RSLC6A3
SCHEMBL4926309 0.73 SLC6A3 (0.45) CNR2DRD2RORCSLC6A3KMT2A
SCHEMBL4919417 0.73 SLC6A3 (0.45) CNR2DRD2RORCSLC6A3KMT2A
SCHEMBL555715 0.73 REN (0.55) CNR2KMT2ARENKCNH2
SCHEMBL556590 0.73 REN (0.55) CNR2KMT2ARENKCNH2
SCHEMBL2425249 0.72 CCR1 (0.39) CNR2DRD2MC4RSLC6A3KMT2A

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 CCR2 1104/4885CNR2 2092/4885DRD2 2069/4885

“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.