SCHEMBL556525

SCHEMBL556525

CC(C)(C)OC(=O)N1CC[C@](O)(c2ccc(F)c(F)c2)[C@H](c2cc(-c3ccc(F)cc3Cl)on2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.49
CYP3A4 P08684 6/20 0.49
KCNH2 Q12809 6/20 0.49
MC4R P32245 1/20 0.37
PAK1 Q13153 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NTRK1 P04629 1/20 0.36
SCD5 Q86SK9 1/20 0.35
ALK Q9UM73 1/20 0.35
RORC P51449 3/20 0.35
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL556589 0.88 REN (0.60) RENCYP3A4KCNH2MC4RSCD5
SCHEMBL555714 0.88 REN (0.60) RENCYP3A4KCNH2MC4RSCD5
SCHEMBL556526 0.77 REN (0.44) RENCYP3A4KCNH2MC4RALDH1A1
SCHEMBL555815 0.76 REN (0.61) RENCYP3A4KCNH2ALKRORC
SCHEMBL555642 0.75 REN (0.75) RENCYP3A4KCNH2
SCHEMBL557036 0.75 REN (0.60) RENCYP3A4KCNH2RORC
SCHEMBL555742 0.75 REN (0.62) RENCYP3A4KCNH2ALKRORC
SCHEMBL556341 0.75 REN (0.43) RENCYP3A4KCNH2MC4RSCD5
SCHEMBL555763 0.74 REN (0.44) RENCYP3A4KCNH2MC4RSCD5
SCHEMBL557210 0.73 REN (0.50) RENCYP3A4KCNH2MC4RRORC

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 REN 1/4885CYP3A4 766/4885KCNH2 1198/4885

“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.