SCHEMBL3384331

SCHEMBL3384331

N#Cc1ccccc1Oc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SLC22A12 Q96S37 2/20 0.44
EZH2 Q15910 1/20 0.43
MAP4K4 O95819 1/20 0.39
TSHR P16473 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPK14 Q16539 1/20 0.38
AR P10275 1/20 0.38
GCK P35557 1/20 0.38
PIN1 Q13526 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL7054403 0.87 GAA (0.64) GAAPOLBSLC22A12MAP4K4TSHR
SCHEMBL8431375 0.85 GAA (0.62) GAAPOLBSLC22A12MAP4K4TSHR
SCHEMBL19642401 0.84 MAPK1 (0.46) GAAPOLBLMNANPC1RAB9A
SCHEMBL727333 0.80 ALDH1A1 (0.48) LMNANPC1RAB9ATSHRALDH1A1
SCHEMBL15915839 0.78 LMNA (0.49) GAAPOLBLMNANPC1RAB9A
SCHEMBL3842507 0.78 MAPK1 (0.46) LMNANPC1RAB9ATSHRALDH1A1
SCHEMBL6871605 0.77 POLB (0.69) GAAPOLBLMNAEZH2PDE4A
SCHEMBL30872202 0.76 POLB (0.53) GAAPOLBSLC22A12EZH2MAP4K4
SCHEMBL28625665 0.76 AR (0.61) GAAPOLBNPC1RAB9ASLC22A12
SCHEMBL11115045 0.76 GAA (0.53) GAAPOLBLMNAMAP4K4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 GAA 2974/4885POLB 2771/4885LMNA 4323/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 GAA 2974/4885POLB 2771/4885LMNA 4323/4885

“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.