SCHEMBL556679

SCHEMBL556679

CC(C)(C)C1[C@H](C=O)[C@@](O)(c2ccc(F)c(F)c2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.35
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CCR2 P41597 1/20 0.34
MC4R P32245 2/20 0.33
DRD2 P14416 1/20 0.32
KMT2A Q03164 1/20 0.31
CNR1 P21554 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
SCHEMBL555701 0.89 SLC6A2 (0.33) CNR2SLC6A3SLC6A2SLC6A4CCR2
SCHEMBL556119 0.83 CNR2 (0.34) CNR2SLC6A3CCR2MC4RDRD2
SCHEMBL556468 0.83 CCR2 (0.34) CNR2SLC6A3SLC6A2SLC6A4CCR2
SCHEMBL2430891 0.82 CCR2 (0.38) CNR2SLC6A3SLC6A2SLC6A4CCR2
SCHEMBL557091 0.81 CCR2 (0.33) CNR2SLC6A3CCR2MC4RDRD2
SCHEMBL4919417 0.73 SLC6A3 (0.45) CNR2SLC6A3DRD2KMT2ACNR1
SCHEMBL4926309 0.73 SLC6A3 (0.45) CNR2SLC6A3DRD2KMT2ACNR1
SCHEMBL2425249 0.72 CCR1 (0.39) CNR2SLC6A3SLC6A2SLC6A4MC4R
SCHEMBL555715 0.71 REN (0.55) CNR2KMT2A
SCHEMBL556590 0.71 REN (0.55) CNR2KMT2A

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 CNR2 2092/4885SLC6A3 1655/4885SLC6A2 1302/4885

“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.