SCHEMBL3167461

SCHEMBL3167461

c1ccc(CN2C3CCC2CC(N2c4ccccc4Sc4cc(-c5nnn[nH]5)ccc42)C3)nc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM1 P11229 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
OPRD1 P41143 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL5221409 0.88 OPRM1 (0.37) OPRM1OPRK1KCNH2CHRM1
SCHEMBL5114019 0.87 HRH3 (0.38) TRPV6HRH3
SCHEMBL3167979 0.84 OPRM1 (0.35) OPRM1OPRK1KCNH2CHRM1TRPV6
SCHEMBL13394744 0.84 OPRM1 (0.35) OPRM1OPRK1KCNH2CHRM1TRPV6
SCHEMBL3183048 0.84 OPRM1 (0.38) OPRM1OPRK1KCNH2CHRM1TRPV6
SCHEMBL3183436 0.82 KDM1A (0.34)
SCHEMBL3173985 0.82 HRH3 (0.39) OPRM1OPRK1KCNH2OPRD1HRH3
SCHEMBL3176047 0.81 DRD2 (0.38) OPRM1OPRK1KCNH2CHRM1
SCHEMBL13394866 0.81 DRD2 (0.38) OPRM1OPRK1KCNH2CHRM1
SCHEMBL3173269 0.80 KDM1A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US claimed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP claimed
US-20090042871-A1 Tricyclic Delta-Opioid Modulators COATS STEVEN J 2009-02-12 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-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
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 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-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
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 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.