SCHEMBL556268

SCHEMBL556268

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.40
DPP4 P27487 1/20 0.40
MMP13 P45452 1/20 0.39
GPR119 Q8TDV5 5/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL556852 0.79 DPP4 (0.40) RORCDPP4MMP13GPR119KDM4E
SCHEMBL2430889 0.72 RORC (0.48) RORCDPP4
SCHEMBL1331315 0.71 RORC (0.42) RORCDPP4MMP13MEN1KMT2A
SCHEMBL2425172 0.70 RORC (0.48) RORCDPP4
SCHEMBL29087370 0.70 TSHR (0.47) RORCDPP4KMT2A
SCHEMBL29532756 0.69 RORC (0.46) RORCDPP4GPR119MEN1KMT2A
SCHEMBL2352484 0.69 RORC (0.46) RORCDPP4GPR119MEN1KMT2A
SCHEMBL24685652 0.69 JAK2 (0.44) RORCDPP4MMP13GPR119
SCHEMBL29995068 0.69 JAK2 (0.44) RORCDPP4MMP13GPR119
SCHEMBL29087345 0.69 JAK2 (0.45) RORCDPP4GPR119MEN1KMT2A

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 RORC 2021/4885DPP4 20/4885MMP13 800/4885

“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.