SCHEMBL21116569

SCHEMBL21116569

CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C3CC3)nc2)C1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
PDE5A O76074 2/20 0.34
EGLN1 Q9GZT9 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
NR3C1 P04150 2/20 0.32
CYP11B2 P19099 1/20 0.32
ELANE P08246 2/20 0.32
PARP1 P09874 1/20 0.31
HSD11B1 P28845 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
AKR1C3 P42330 1/20 0.31
ICMT O60725 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
HSD11B2 P80365 1/20 0.31
AR P10275 1/20 0.31
IP6K1 Q92551 1/20 0.31

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
SCHEMBL19805323 0.81 PTGDR2 (0.38) PTGDR2PDE5AEGLN1NR3C1CYP11B2
SCHEMBL29438003 0.81 PTGDR2 (0.38) PTGDR2PDE5AEGLN1GPR119NR3C1
SCHEMBL1978997 0.81 PTGDR2 (0.38) PTGDR2PDE5AEGLN1GPR119NR3C1
SCHEMBL18952995 0.78 PTGDR2 (0.38) PTGDR2EGLN1CYP11B2ELANEHSD11B1
SCHEMBL18952943 0.78 PTGDR2 (0.37) PTGDR2PDE5AEGLN1CYP11B2HSD11B1
SCHEMBL30939616 0.76 HSD11B1 (0.38) PTGDR2PDE5AEGLN1CYP11B2ELANE
SCHEMBL1979096 0.76 HSD11B1 (0.38) PTGDR2PDE5AEGLN1CYP11B2ELANE
SCHEMBL25053757 0.75 PTGDR2 (0.39) PTGDR2EGLN1CYP11B2ELANEPARP1
SCHEMBL19805308 0.75 SSTR4 (0.32) AKR1C3
SCHEMBL19670107 0.75 AR (0.34) GPR119HRH3AR

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-20190192516-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS GLAXOSMITHKLINE S.P.A. (IT) 2019-06-27 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-20190192516-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNN3, KCND3, KCNA3 PTGDR2 1454/4885PDE5A 834/4885EGLN1 877/4885

“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.