SCHEMBL999029

SCHEMBL999029

O=C(NCCc1ccccc1)N1CCCc2c([nH]c3ccccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
GPX4 P36969 1/20 0.55
TRPV1 Q8NER1 13/20 0.52
FAAH O00519 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49

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
SCHEMBL1000934 0.94 GPX4 (0.63) KMT2AGPX4TRPV1FAAH
SCHEMBL6006640 0.86 GPX4 (0.55) KMT2AGPX4TRPV1FAAH
SCHEMBL1000384 0.85 KMT2A (0.77) KMT2AGPX4TRPV1DRD2DRD3
SCHEMBL999152 0.84 KMT2A (0.72) KMT2AGPX4TRPV1DRD2DRD3
SCHEMBL998353 0.83 KMT2A (0.71) KMT2AGPX4TRPV1DRD2DRD3
SCHEMBL1000401 0.83 GPX4 (0.63) KMT2AGPX4TRPV1FAAHPRMT5
SCHEMBL1000937 0.81 TRPV1 (0.72) KMT2ATRPV1
SCHEMBL997137 0.80 TRPV1 (0.61) GPX4TRPV1
SCHEMBL998500 0.78 KMT2A (0.84) KMT2AGPX4TRPV1DRD2DRD3
SCHEMBL997569 0.78 TRPV1 (0.54) KMT2AGPX4TRPV1FAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KMT2A 2539/4885GPX4 486/4885TRPV1 2437/4885

“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.