SCHEMBL3168223

SCHEMBL3168223

c1cncc(-c2ccc3c(c2)Oc2ccccc2N3C2CC3CCC(C2)N3)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.43
CYP11B1 P15538 9/20 0.43
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNA3 P32297 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36

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
SCHEMBL13394861 1.00 CYP11B2 (0.43) CYP11B2CYP11B1CHRNB2CHRNA4CHRNA3
SCHEMBL13394901 1.00 CYP11B2 (0.43) CYP11B2CYP11B1CHRNB2CHRNA4CHRNA3
SCHEMBL13394909 0.88 BRAF (0.35) CHRNA3
SCHEMBL3174246 0.88 BRAF (0.35) CHRNA3
SCHEMBL13394888 0.88 BRAF (0.35) CHRNA3
SCHEMBL13395064 0.86 CYP11B2 (0.39) CYP11B2CYP11B1CHRNB2CHRNA4CHRNA3
SCHEMBL3188918 0.86 CYP11B2 (0.39) CYP11B2CYP11B1CHRNB2CHRNA4CHRNA3
SCHEMBL5119729 0.85 CYP11B2 (0.45) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL3178105 0.84 CYP11B1 (0.39) CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL13395069 0.84 CYP11B1 (0.39) CYP11B2CYP11B1CYP17A1CYP19A1

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 CYP11B2 415/4885CYP11B1 411/4885CHRNB2 119/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 CYP11B2 416/4885CYP11B1 426/4885CHRNB2 116/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 CYP11B2 416/4885CYP11B1 426/4885CHRNB2 116/4885

“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.