SCHEMBL556852

SCHEMBL556852

CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C#CBr)(c2ccc(F)c(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
RORC P51449 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
GPR119 Q8TDV5 7/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL556268 0.79 RORC (0.40) DPP4RORCMAPTKDM4ETHRB
SCHEMBL2430889 0.73 RORC (0.48) DPP4RORC
SCHEMBL1331315 0.72 RORC (0.42) DPP4RORCMMP13
SCHEMBL557090 0.72 RORC (0.39) DPP4RORCGPR119MMP13
SCHEMBL2425172 0.71 RORC (0.48) DPP4RORC
SCHEMBL29532756 0.70 RORC (0.46) DPP4RORCGPR119
SCHEMBL2352484 0.70 RORC (0.46) DPP4RORCGPR119
SCHEMBL556467 0.69 RORC (0.40) DPP4RORCGPR119MMP13
SCHEMBL29087345 0.69 JAK2 (0.45) DPP4RORCGPR119
SCHEMBL27225781 0.69 JAK2 (0.47) DPP4RORCGPR119

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 DPP4 20/4885RORC 2021/4885NPC1 1715/4885

“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.