SCHEMBL999006

SCHEMBL999006

O=C(CSc1ccc(C(F)(F)F)cn1)N1CCCc2c([nH]c3ccccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.51
GPX4 P36969 1/20 0.48
HDAC6 Q9UBN7 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 2/20 0.43
HPGD P15428 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL1000174 0.95 TRPV1 (0.57) TRPV1GPX4HDAC6ALDH1A1KDM4E
SCHEMBL1000404 0.81 MEN1 (0.53) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL998561 0.76 TP53 (0.51) LMNAMAPTPOLBTHRB
SCHEMBL998529 0.74 TRPV1 (0.88) TRPV1MAPT
SCHEMBL24026912 0.71 GPX4 (0.54) TRPV1GPX4KDM4ELMNAMAPT
SCHEMBL10123278 0.71 GAA (0.61) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL997738 0.70 TRPV1 (0.51) TRPV1GPX4MAPT
SCHEMBL28688195 0.70 CDK4 (0.72) TRPV1
SCHEMBL999057 0.70 TRPV1 (0.89) TRPV1
SCHEMBL1000958 0.70 LMNA (0.71) TRPV1GPX4KDM4ELMNAMAPT

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 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.