SCHEMBL1000401

SCHEMBL1000401

O=C(NCc1ccccc1)N1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 1/20 0.63
TRPV1 Q8NER1 17/20 0.62
FAAH O00519 1/20 0.61
PRMT5 O14744 1/20 0.58
WDR77 Q9BQA1 1/20 0.58
KMT2A Q03164 1/20 0.58

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 0.90 GPX4 (0.63) GPX4TRPV1FAAHKMT2A
SCHEMBL999029 0.83 KMT2A (0.56) GPX4TRPV1FAAHPRMT5WDR77
SCHEMBL20817603 0.83 HDAC6 (0.76) GPX4TRPV1FAAH
SCHEMBL997954 0.83 TRPV1 (0.83) TRPV1KMT2A
SCHEMBL998500 0.83 KMT2A (0.84) GPX4TRPV1KMT2A
SCHEMBL28920591 0.82 KMT2A (0.63) GPX4TRPV1FAAHKMT2A
SCHEMBL969392 0.82 TRPV1 (0.72) GPX4TRPV1FAAH
SCHEMBL997520 0.82 KMT2A (0.78) GPX4TRPV1KMT2A
SCHEMBL6006640 0.81 GPX4 (0.55) GPX4TRPV1FAAHKMT2A
SCHEMBL1000954 0.80 TRPV1 (0.69) GPX4TRPV1FAAHPRMT5WDR77

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 GPX4 486/4885TRPV1 2437/4885FAAH 1041/4885

“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.