SCHEMBL5115778

SCHEMBL5115778

N=C(N)c1ccc2c(c1)Oc1ccccc1N2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.62
ALOX5 P09917 7/20 0.55
HTR7 P34969 1/20 0.51
F2 P00734 4/20 0.43
PLAU P00749 3/20 0.43
PRSS1 P07477 2/20 0.43
PLG P00747 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
F10 P00742 3/20 0.40
F7 P08709 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
F12 P00748 1/20 0.38
F3 P13726 1/20 0.38
PKM P14618 1/20 0.38
WDR5 P61964 1/20 0.38
BLM P54132 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
SCHEMBL2513769 0.79 ALOX5 (0.82) HTR2BALOX5HTR7
Phenoxazine SCHEMBL6310178 0.74 ALOX5 (1.00) HTR2BALOX5HTR7
Phenoxazine SCHEMBL28844098 0.74 ALOX5 (1.00) HTR2BALOX5HTR7
Phenoxazine SCHEMBL7862 0.74 ALOX5 (1.00) HTR2BALOX5HTR7
Phenoxazine SCHEMBL29355714 0.74 ALOX5 (1.00) HTR2BALOX5HTR7
SCHEMBL33373496 0.74 ALOX5 (0.65) HTR2BALOX5HTR7
SCHEMBL31191632 0.74 ALOX5 (0.65) HTR2BALOX5HTR7BLM
SCHEMBL8520270 0.74 ALOX5 (0.65) HTR2BALOX5HTR7
SCHEMBL31435208 0.74 ALOX5 (0.65) HTR2BALOX5HTR7BLM
SCHEMBL31191641 0.74 ALOX5 (0.65) HTR2BALOX5HTR7

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
EP-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP claimed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed
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
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
EP-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 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
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO 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 HTR2B 409/4885ALOX5 1363/4885HTR7 782/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HTR2B 409/4885ALOX5 1363/4885HTR7 782/4885

“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.