SCHEMBL3969110

SCHEMBL3969110

N=C(N)c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2C(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.33
PLAU P00749 2/20 0.32
SETD7 Q8WTS6 1/20 0.32
F11 P03951 2/20 0.32
F7 P08709 1/20 0.32
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
KLK1 P06870 1/20 0.32
F2 P00734 5/20 0.31
PRSS1 P07477 4/20 0.31
PDK2 Q15119 3/20 0.31
KLKB1 P03952 1/20 0.30
CNR1 P21554 1/20 0.30
ELOVL6 Q9H5J4 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
SCHEMBL13627442 0.90 SETD7 (0.31) F10SETD7
SCHEMBL3963938 0.90 SETD7 (0.31) F10SETD7
SCHEMBL3963936 0.89 HDAC3 (0.32) SETD7CNR1
SCHEMBL3965754 0.85 AHR (0.34) SETD7PDK2
SCHEMBL3966628 0.82 HSD17B1 (0.37) SETD7PDK2
SCHEMBL3379080 0.79 TRPA1 (0.36) SETD7PDK2
SCHEMBL3961355 0.79 BDKRB1 (0.36) SETD7PDK2
SCHEMBL3382744 0.78 SETD7 (0.32) SETD7
SCHEMBL3382566 0.77 TERT (0.34) SETD7
SCHEMBL3965157 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
EP-1910353-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-16 EP disclosed
WO-2007030089-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 WO disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 F10 2930/4885PLAU 4854/4885SETD7 3200/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 F10 2732/4885PLAU 4766/4885SETD7 4197/4885

“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.