SCHEMBL557048

SCHEMBL557048

CC(C)(C)OC(=O)N1CC[C@H](c2cccnc2)[C@@H](c2ccc(Br)cc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
STS P08842 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
USP30 Q70CQ3 5/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TP53 P04637 1/20 0.40
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
SPR P35270 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RORC P51449 1/20 0.38

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
SCHEMBL534498 0.86 SPR (0.43) KDM4EMEN1ALDH1A1KMT2ASPR
SCHEMBL16272063 0.80 GPR119 (0.57) GPR119MAPTKDM4EMEN1ALDH1A1
SCHEMBL556727 0.79 REN (0.67) GPR119USP30CCNKCDK12CYP3A4
SCHEMBL6043780 0.79 GPR119 (0.56) GPR119MAPTKDM4EMEN1ALDH1A1
SCHEMBL534491 0.76 SPR (0.37) MAPTKDM4EALDH1A1SPR
SCHEMBL14497248 0.75 GPR119 (0.60) GPR119MAPTTP53CCNKCDK12
SCHEMBL30417389 0.75 GPR119 (0.60) GPR119MAPTTP53CCNKCDK12
SCHEMBL23291499 0.75 STS (0.50) GPR119STSMAPTKDM4EMEN1
SCHEMBL557049 0.74 FNTA (0.35) KDM4EMEN1ALDH1A1KMT2AFNTA
SCHEMBL19690381 0.73 GPR119 (0.48) GPR119MAPTKDM4EMEN1ALDH1A1

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 GPR119 487/4885STS 2962/4885MAPT 4208/4885

“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.