SCHEMBL3081871

SCHEMBL3081871

CC(O)Oc1ccnc(C2CCCCC2)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.34
PTGDR Q13258 1/20 0.34
RET P07949 1/20 0.34
PARP15 Q460N3 2/20 0.34
PARP10 Q53GL7 2/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL3094967 0.79 RET (0.37) IRAK4RETOPRM1
SCHEMBL3081865 0.78 HRH4 (0.37) IRAK4PTGDR2PTGDRRET
SCHEMBL4153902 0.77 SCN10A (0.38) RETOPRM1
SCHEMBL27632867 0.76 GSK3B (0.37) RETPARP15PARP10
SCHEMBL3094958 0.69 HRH4 (0.39) IRAK4PTGDR2PTGDRRET
SCHEMBL19691288 0.68 HRH4 (0.36) OPRM1
SCHEMBL4153906 0.66 SCN10A (0.40) PTGDR2
SCHEMBL11679824 0.66 CYP19A1 (0.35) RET
SCHEMBL28002669 0.66 SCN10A (0.41) RET
SCHEMBL4414124 0.65 PARP1 (0.46)

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-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 IRAK4 1251/4885PTGDR2 1729/4885PTGDR 1749/4885

“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.