SCHEMBL3081865

SCHEMBL3081865

CC(O)Oc1nccc(C2CCCCC2)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
PTGDR Q13258 1/20 0.37
IRAK4 Q9NWZ3 12/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR6 P50406 1/20 0.36
CYP19A1 P11511 1/20 0.35
CDC7 O00311 1/20 0.34
RET P07949 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
SCHEMBL3094958 0.79 HRH4 (0.39) HRH4PTGDR2PTGDRIRAK4CDC7
SCHEMBL3081871 0.78 IRAK4 (0.40) PTGDR2PTGDRIRAK4RET
SCHEMBL4153906 0.77 SCN10A (0.40) HRH4PTGDR2CDC7
SCHEMBL9207313 0.76 MAPT (0.40) HRH4PTGDR2PTGDRCDC7
SCHEMBL9207129 0.76 MAPT (0.40) HRH4PTGDR2PTGDRCDC7
SCHEMBL7511256 0.74 MAPT (0.41) HRH4PTGDR2CDC7
SCHEMBL3094967 0.69 RET (0.37) HRH4IRAK4CYP19A1CDC7RET
SCHEMBL9206473 0.68 CNR1 (0.36) HRH4RET
SCHEMBL29289787 0.67 MAPT (0.40) HRH4PTGDR2CDC7
SCHEMBL31668887 0.67 HTT (0.43) HRH4PTGDR2

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 HRH4 93/4885PTGDR2 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.