SCHEMBL4098540

SCHEMBL4098540

CC(C)Nc1cccc2[nH]c(C3CN(C)CC[N]3)nc12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.41
PARP2 Q9UGN5 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL4350353 0.81 HRH4 (0.45) PARP1PTGS1PTGS2
SCHEMBL4358956 0.80 PARP1 (0.45) PARP1PARP2
SCHEMBL4344619 0.80 PARP1 (0.42) PARP1PARP2
SCHEMBL4350617 0.74 HCRTR1 (0.38) PARP1
SCHEMBL4097945 0.72 HRH4 (0.47) PARP1
SCHEMBL4358835 0.68 SSTR5 (0.36) PARP1
SCHEMBL605246 0.67 HRH4 (0.67) PARP1PARP2
SCHEMBL4348250 0.67 LMNA (0.39)
SCHEMBL4356661 0.67 HRH4 (0.36)
SCHEMBL4353639 0.66 KDM4E (0.40)

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-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 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-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 PARP1 1799/4885PARP2 2686/4885PTGS1 571/4885

“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.