SCHEMBL3175129

SCHEMBL3175129

c1ccc(CN2C3CCC2CC(N2c4ccccc4Oc4cc(-c5ccncc5)ccc42)C3)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIRT1 Q96EB6 1/20 0.36
CHRM1 P11229 1/20 0.35
MAPK1 P28482 1/20 0.33
OPRD1 P41143 1/20 0.33
TRPV6 Q9H1D0 1/20 0.32
BRD4 O60885 1/20 0.31
RIPK3 Q9Y572 1/20 0.31
RET P07949 3/20 0.31
MAPT P10636 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL13394912 1.00 OPRM1 (0.38) OPRM1OPRK1KCNH2SIRT1CHRM1
SCHEMBL13394889 1.00 OPRM1 (0.38) OPRM1OPRK1KCNH2SIRT1CHRM1
SCHEMBL13394902 0.90 CYP11B1 (0.38) OPRM1OPRK1KCNH2SIRT1CHRM1
SCHEMBL13529090 0.90 CYP11B1 (0.38) OPRM1OPRK1KCNH2SIRT1CHRM1
SCHEMBL3173342 0.90 CYP11B1 (0.38) OPRM1OPRK1KCNH2SIRT1CHRM1
SCHEMBL13395080 0.89 OPRM1 (0.39) OPRM1OPRK1KCNH2SIRT1CHRM1
SCHEMBL3168317 0.89 OPRM1 (0.39) OPRM1OPRK1KCNH2SIRT1CHRM1
SCHEMBL13395096 0.86 OPRM1 (0.37) OPRM1OPRK1KCNH2
SCHEMBL3178824 0.86 OPRM1 (0.37) OPRM1OPRK1KCNH2
SCHEMBL5112952 0.85 L3MBTL1 (0.41) SIRT1MAPK1TRPV6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US claimed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP claimed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US claimed
EP-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP claimed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed
US-20060135763-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US claimed
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090042871-A1 Tricyclic Delta-Opioid Modulators COATS STEVEN J 2009-02-12 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed
EP-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135763-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 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 (3 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-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRK1 2/4885KCNH2 623/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRK1 2/4885KCNH2 618/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRK1 2/4885KCNH2 618/4885

“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.