SCHEMBL4336461

SCHEMBL4336461

CN1CCCCC1N(C)c1nc2c(C(N)=O)[c]ccc2o1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.35
HTR3A P46098 3/20 0.34
PARP2 Q9UGN5 2/20 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
SCHEMBL3744261 0.83 PARP1 (0.33) PARP1HTR3APARP2
SCHEMBL3749081 0.82 PARP1 (0.35) PARP1HTR3APARP2
SCHEMBL18344061 0.78 HTR3A (0.31) HTR3A
SCHEMBL3759146 0.78 HRH3 (0.33)
SCHEMBL18344138 0.77 EGFR (0.33) HTR3A
SCHEMBL3748155 0.76 HTR3A (0.33) PARP1HTR3A
SCHEMBL3751058 0.73 MEN1 (0.35)
SCHEMBL3756398 0.73 IRAK4 (0.36) HTR3A
SCHEMBL18344037 0.72 L3MBTL3 (0.39) PARP1HTR3A
SCHEMBL18344145 0.72

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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PARP1 4719/4885HTR3A 129/4885PARP2 4864/4885

“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.