SCHEMBL3384341

SCHEMBL3384341

O=C(O)c1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2C9 P11712 1/20 0.35
MYC P01106 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
SETD7 Q8WTS6 1/20 0.32
HNF4A P41235 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
BRCA1 P38398 1/20 0.31
YWHAG P61981 1/20 0.31

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
SCHEMBL3382259 0.89 TRPA1 (0.40) CHRNA7
SCHEMBL3384775 0.86 BRD4 (0.37) CHRNA7OPRM1OPRD1SETD7
SCHEMBL3385842 0.86 MEN1 (0.36) CHRNA7OPRM1OPRD1SETD7MEN1
SCHEMBL3380168 0.83 SETD7 (0.30) SETD7
SCHEMBL3380170 0.83 MAPT (0.32) SETD7MAPT
SCHEMBL3379206 0.83 NPC1 (0.44) ALDH1A1L3MBTL1LMNAMAPTHSD17B10
SCHEMBL3383083 0.83 SETD7 (0.35) CHRNA7SETD7
SCHEMBL13005736 0.82 MAOB (0.34) OPRM1OPRD1ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL3382424 0.81 KDM1A (0.36) CHRNA7OPRM1OPRD1
SCHEMBL4669628 0.80 SETD7 (0.46) CHRNA7ALOX5OPRM1OPRD1SETD7

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 6 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
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
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 CHRNA7 135/4885ALOX5 790/4885CYP2C9 228/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 CHRNA7 135/4885ALOX5 790/4885CYP2C9 228/4885

“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.