SCHEMBL3969285

SCHEMBL3969285

Cn1nnc(-c2ccc3c(c2)Oc2ccccc2C3=C2CC3CCC(C2)N3)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.40
NPY5R Q15761 1/20 0.39
DRD2 P14416 3/20 0.37
TACR1 P25103 1/20 0.34
AKT1 P31749 2/20 0.33
AKT2 P31751 2/20 0.33
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 2/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
DRD4 P21917 1/20 0.31
BRD4 O60885 1/20 0.31
MAPK7 Q13164 1/20 0.31
ACLY P53396 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL3963810 0.82 SETD7 (0.38) SETD7TACR1AKT1AKT2SMN1; SMN2
SCHEMBL3969038 0.80 L3MBTL1 (0.40) SETD7NPY5R
SCHEMBL3961355 0.80 BDKRB1 (0.36) SETD7NPY5RDRD2AKT1AKT2
SCHEMBL4778945 0.79 NPY5R (0.34) SETD7NPY5RDRD2AKT1AKT2
SCHEMBL3964374 0.78 SETD7 (0.33) SETD7
SCHEMBL4480232 0.77 SETD7 (0.32) SETD7
SCHEMBL4669628 0.77 SETD7 (0.46) SETD7DRD2NFKB1NFKB2RELA
SCHEMBL3961115 0.76 CYP11B1 (0.41) NPY5R
SCHEMBL4521744 0.74 AHR (0.41) SETD7DRD2
SCHEMBL3969272 0.73 SETD7 (0.30) 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
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
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 SETD7 3200/4885NPY5R 382/4885DRD2 49/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SETD7 4197/4885NPY5R 219/4885DRD2 205/4885

“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.