SCHEMBL996643

SCHEMBL996643

COc1ccc(OC)c(SCC(=O)N2CCc3c([nH]c4ccccc34)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.57
CDK4 P11802 4/20 0.56
CCND1 P24385 4/20 0.56
GPX4 P36969 1/20 0.55
FAAH O00519 3/20 0.51
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL997738 0.95 TRPV1 (0.51) TRPV1CDK4CCND1GPX4FAAH
SCHEMBL999215 0.75 MAPT (0.52) MEN1KMT2A
SCHEMBL8401917 0.75 BAZ2B (0.64) TRPV1CDK4CCND1GPX4HDAC6
SCHEMBL13942708 0.75 CDK4 (0.89) TRPV1CDK4CCND1FAAH
SCHEMBL20882095 0.74 GPX4 (0.77) TRPV1CDK4CCND1GPX4FAAH
SCHEMBL13942707 0.73 CDK4 (0.71) TRPV1CDK4CCND1GPX4FAAH
SCHEMBL13255322 0.73 GPX4 (0.67) TRPV1CDK4CCND1GPX4FAAH
SCHEMBL997010 0.73 TRPV1 (1.00) TRPV1MEN1KMT2A
SCHEMBL999252 0.72 TRPV1 (0.80) TRPV1CDK4CCND1
SCHEMBL5556447 0.72 GPX4 (0.77) TRPV1CDK4CCND1GPX4FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US claimed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP claimed
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 TRPV1 2437/4885CDK4 987/4885CCND1 316/4885

“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.