SCHEMBL556873

SCHEMBL556873

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.33
CHRNB2 P17787 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM1A O60341 3/20 0.32
CCR2 P41597 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL556600 0.89 ADAMTS5 (0.32) ADAMTS5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL557596 0.83 HTR2A (0.37) ADAMTS5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL556953 0.71 KDM1A (0.37) ADAMTS5HTR2AHTR2CHTR2BKDM1A
SCHEMBL555599 0.71 SLC6A2 (0.32) SLC6A2SLC6A3
SCHEMBL556511 0.69 P2RX7 (0.33)
SCHEMBL556872 0.67 NR1H2 (0.37) HTR2AHTR2CHTR2BUSP30
SCHEMBL30569759 0.66 KDM1A (0.37) ADAMTS5HTR2AHTR2CHTR2BKDM1A
SCHEMBL27896146 0.65 HTR2A (0.49) CHRNB2ADRA2CCHRNB4CHRNA3CHRNA7
SCHEMBL3646250 0.63 CCR5 (0.42) KDM1A
SCHEMBL1713447 0.63 CCR5 (0.42) KDM1A

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 ADAMTS5 496/4885CHRNB2 4697/4885ADRA2C 136/4885

“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.