SCHEMBL5115848

SCHEMBL5115848

Oc1cccc2c1Oc1cc(-c3cccnc3)ccc1N2C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.40
CYP11B1 P15538 8/20 0.40
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1A Q13627 2/20 0.38
WNT1 P04628 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PLAT P00750 1/20 0.37
PIM1 P11309 1/20 0.35
ERN1 O75460 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5509845 0.88 CYP11B2 (0.40) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL3188918 0.87 CYP11B2 (0.39) CYP11B2CYP11B1CYP1A2ERN1
SCHEMBL13395064 0.87 CYP11B2 (0.39) CYP11B2CYP11B1CYP1A2ERN1
SCHEMBL5119729 0.86 CYP11B2 (0.45) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL5119034 0.79 PIM1 (0.42) PLATPIM1
SCHEMBL5196889 0.79 CYP11B1 (0.36) CYP11B2CYP11B1
SCHEMBL3173482 0.78 OPRM1 (0.37) CYP11B2CYP11B1
SCHEMBL13395065 0.78 OPRM1 (0.37) CYP11B2CYP11B1
SCHEMBL5507937 0.77 PIM1 (0.37) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL5094733 0.76 MKNK1 (0.41) CYP11B2CYP11B1MKNK1MKNK2CYP1A2

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
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-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
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 CYP11B2 416/4885CYP11B1 426/4885MKNK1 2246/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 CYP11B2 416/4885CYP11B1 426/4885MKNK1 2246/4885

“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.