SCHEMBL3379080

SCHEMBL3379080

NC(=O)c1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2C(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
PARP1 P09874 12/20 0.35
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
PDK2 Q15119 1/20 0.32
SETD7 Q8WTS6 1/20 0.30

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
SCHEMBL13617490 0.90 MAPT (0.30)
SCHEMBL3385630 0.90 MAPT (0.30)
SCHEMBL3382497 0.88 TRPA1 (0.40) TRPA1PDK2
SCHEMBL3382744 0.88 SETD7 (0.32) SETD7
SCHEMBL3382566 0.86 TERT (0.34) SETD7
SCHEMBL3385627 0.86 HCRTR1 (0.32)
SCHEMBL4503676 0.86
SCHEMBL13617537 0.85 SETD7 (0.32) SETD7
SCHEMBL13617536 0.85 SETD7 (0.32) SETD7
SCHEMBL3379108 0.85 SETD7 (0.32) SETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP claimed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 US 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 (2 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 TRPA1 80/4885PARP1 4606/4885CYP11B1 195/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 TRPA1 80/4885PARP1 4606/4885CYP11B1 195/4885

“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.