SCHEMBL3379231

SCHEMBL3379231

Oc1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
OPRD1 P41143 1/20 0.39
TRPV6 Q9H1D0 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CHRM1 P11229 2/20 0.34
CASP6 P55212 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
LTA4H P09960 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3382937 0.86 KCNH2 (0.47) OPRM1OPRK1KCNH2OPRD1SIRT1
SCHEMBL13617491 0.86 OPRM1 (0.41) OPRM1OPRK1KCNH2OPRD1TRPV6
SCHEMBL3380030 0.84 KCNH2 (0.40) OPRM1OPRK1KCNH2OPRD1L3MBTL1
SCHEMBL3381575 0.82 KCNH2 (0.40) OPRM1OPRK1KCNH2TRPV6SIRT1
SCHEMBL3381244 0.80
SCHEMBL3379158 0.78 SETD7 (0.42) OPRM1OPRK1OPRD1
SCHEMBL4781352 0.74 TERT (0.33)
SCHEMBL3383406 0.74 SETD7 (0.40) OPRM1OPRK1KCNH2OPRD1CHRM1
SCHEMBL3382566 0.73 TERT (0.34)
SCHEMBL3385537 0.72 LTA4H (0.37) OPRM1OPRK1KCNH2OPRD1MEN1

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 7 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 claimed
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 OPRM1 2/4885OPRK1 3/4885KCNH2 838/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRK1 3/4885KCNH2 838/4885

“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.