SCHEMBL556467

SCHEMBL556467

C#C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.40
GPR119 Q8TDV5 9/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ALK Q9UM73 1/20 0.38
DPP4 P27487 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
USP30 Q70CQ3 1/20 0.36
TACR1 P25103 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
SCHEMBL557090 0.90 RORC (0.39) RORCGPR119JAK2JAK1ALK
SCHEMBL556678 0.85 RORC (0.40) RORCGPR119JAK2JAK1ALK
SCHEMBL556101 0.84 RORC (0.41) RORCGPR119JAK2JAK1ALK
SCHEMBL534472 0.83 OPRD1 (0.37) RORC
SCHEMBL556118 0.83 OPRD1 (0.41) RORCGPR119JAK2JAK1DPP4
SCHEMBL557331 0.82 RORC (0.39) RORCGPR119JAK2JAK1ALK
SCHEMBL555700 0.82 RORC (0.39) RORCGPR119JAK2JAK1ALK
SCHEMBL2352484 0.79 RORC (0.46) RORCGPR119JAK2JAK1DPP4
SCHEMBL29532756 0.79 RORC (0.46) RORCGPR119JAK2JAK1DPP4
SCHEMBL16434896 0.78 ALK (0.47) RORCGPR119ALKUSP30TACR1

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 2021/4885GPR119 487/4885JAK2 3495/4885

“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.