SCHEMBL1000174

SCHEMBL1000174

O=C(CSc1ccc(C(F)(F)F)cn1)N1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.57
GPX4 P36969 1/20 0.55
HDAC6 Q9UBN7 3/20 0.49
HDAC1 Q13547 2/20 0.48
FAAH O00519 1/20 0.46
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL999006 0.95 TRPV1 (0.51) TRPV1GPX4HDAC6HDAC1TAAR1
SCHEMBL1000404 0.77 MEN1 (0.53) KDM4EALDH1A1
SCHEMBL28688195 0.75 CDK4 (0.72) TRPV1CDK4CCND1
SCHEMBL13255322 0.73 GPX4 (0.67) TRPV1GPX4HDAC6HDAC1FAAH
SCHEMBL28590984 0.73 TRPV1 (1.00) TRPV1
SCHEMBL5556447 0.72 GPX4 (0.77) TRPV1GPX4HDAC6HDAC1FAAH
SCHEMBL20882095 0.72 GPX4 (0.77) TRPV1GPX4HDAC6HDAC1FAAH
SCHEMBL20018759 0.72 GPX4 (1.00) TRPV1GPX4HDAC6HDAC1FAAH
SCHEMBL998561 0.72 TP53 (0.51)
SCHEMBL20817603 0.70 HDAC6 (0.76) TRPV1GPX4HDAC6HDAC1FAAH

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 2437/4885GPX4 486/4885HDAC6 156/4885

“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.