SCHEMBL5118612

SCHEMBL5118612

c1ccc2c(c1)Oc1cc(-c3nnn[nH]3)ccc1N2C1CCN(Cc2ncc[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
PARP1 P09874 1/20 0.36
PDE5A O76074 2/20 0.35
CTSS P25774 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN9A Q15858 1/20 0.32
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 2/20 0.31
PRKG1 Q13976 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PDE6D O43924 1/20 0.30
PDE6A P16499 1/20 0.30
PDE6G P18545 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
SCHEMBL5118941 0.86 TRPV6 (0.38) PARP1CTSSMAPTALDH1A1DRD4
SCHEMBL5120461 0.84 KDM4E (0.36) CTSSPOLBGAAMAPTOPRM1
SCHEMBL5122802 0.81 DRD2 (0.39) MAPTKCNH2DRD2DRD4DRD3
SCHEMBL5115349 0.79 PIM1 (0.38) POLBMAPTALDH1A1
SCHEMBL5111497 0.78 PARP1 (0.41) ALOX15PARP1PDE5AHTR2BALDH1A1
SCHEMBL3167979 0.75 OPRM1 (0.35) KCNH2OPRM1OPRD1OPRK1
SCHEMBL13394744 0.75 OPRM1 (0.35) KCNH2OPRM1OPRD1OPRK1
SCHEMBL13394922 0.75
SCHEMBL13394736 0.75
SCHEMBL3167752 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US claimed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 US claimed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 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-20060148823-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 ALOX15 1604/4885PARP1 4298/4885PDE5A 2081/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ALOX15 1604/4885PARP1 4298/4885PDE5A 2081/4885

“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.