SCHEMBL3174246

SCHEMBL3174246

c1ccc2c(c1)Oc1cc(-c3ccncc3)ccc1N2C1CC2CCC(C1)N2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 3/20 0.32
AKT1 P31749 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
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
SCHEMBL13394909 1.00 BRAF (0.35) BRAFMEN1NPC1ALDH1A1POLB
SCHEMBL13394888 1.00 BRAF (0.35) BRAFMEN1NPC1ALDH1A1POLB
SCHEMBL3168223 0.88 CYP11B2 (0.43) CHRNA3
SCHEMBL13394861 0.88 CYP11B2 (0.43) CHRNA3
SCHEMBL13394901 0.88 CYP11B2 (0.43) CHRNA3
SCHEMBL3175942 0.85 BRAF (0.36) BRAF
SCHEMBL13395076 0.85 BRAF (0.36) BRAF
SCHEMBL5119736 0.84 PIM1 (0.40) BRAFMEN1NPC1ALDH1A1POLB
SCHEMBL13395092 0.83 BRAF (0.38) BRAFALDH1A1ROCK2
SCHEMBL3168050 0.83 BRAF (0.38) BRAFALDH1A1ROCK2

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 12 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
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 BRAF 4708/4885MEN1 4872/4885NPC1 1856/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 BRAF 4629/4885MEN1 4869/4885NPC1 1561/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 BRAF 4629/4885MEN1 4869/4885NPC1 1561/4885

“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.