SCHEMBL997520

SCHEMBL997520

CCCCCNC(=O)N1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.78
DRD2 P14416 3/20 0.64
DRD3 P35462 3/20 0.64
GPX4 P36969 1/20 0.61
TRPV1 Q8NER1 13/20 0.59
HTR1A P08908 1/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL998500 0.97 KMT2A (0.84) KMT2ADRD2DRD3GPX4TRPV1
SCHEMBL999152 0.94 KMT2A (0.72) KMT2ADRD2DRD3GPX4TRPV1
SCHEMBL998353 0.93 KMT2A (0.71) KMT2ADRD2DRD3GPX4TRPV1
SCHEMBL1000384 0.90 KMT2A (0.77) KMT2ADRD2DRD3GPX4TRPV1
SCHEMBL28920591 0.87 KMT2A (0.63) KMT2ADRD2DRD3GPX4TRPV1
SCHEMBL28614964 0.85 HDAC6 (0.78) KMT2ADRD2DRD3GPX4TRPV1
SCHEMBL1000934 0.83 GPX4 (0.63) KMT2AGPX4TRPV1
SCHEMBL18688569 0.82 HDAC6 (0.77) KMT2AGPX4TRPV1HTR1AHDAC1
SCHEMBL1000401 0.82 GPX4 (0.63) KMT2AGPX4TRPV1
SCHEMBL8056951 0.79 TRPV1 (0.64) KMT2AGPX4TRPV1HTR1AHDAC1

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 2539/4885DRD2 2644/4885DRD3 1755/4885

“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.