SCHEMBL5116581

SCHEMBL5116581

c1cncc(-c2ccc3c(c2)Oc2ccccc2N3C2CCN(Cc3ccoc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 6/20 0.39
CCR5 P51681 1/20 0.38
DRD4 P21917 3/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
ACHE P22303 2/20 0.36
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
S1PR1 P21453 1/20 0.35
SMO Q99835 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5111706 0.90 DRD2 (0.37) CCR5DRD4DRD2DRD3PIK3CA
SCHEMBL5121438 0.90 DRD4 (0.47) CYP11B1CYP11B2CCR5DRD4DRD2
SCHEMBL5512732 0.87 DRD4 (0.35) CCR5DRD4DRD2DRD3WNT1
SCHEMBL3167523 0.87 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL13394903 0.87 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL13394876 0.87 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL5112888 0.84 CYP11B1 (0.40) CYP11B1CYP11B2CCR5WNT1DYRK1A
SCHEMBL5127867 0.83 ABCB1 (0.43) CYP11B1CYP11B2CCR5DRD4DRD2
SCHEMBL5121453 0.83 DRD2 (0.49) CYP11B1CYP11B2DRD4DRD2ACHE
SCHEMBL14015556 0.81 CYP11B2 (0.38) CYP11B1CYP11B2CCR5DRD4DRD2

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 CYP11B1 426/4885CYP11B2 416/4885CCR5 754/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 CYP11B1 426/4885CYP11B2 416/4885CCR5 754/4885

“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.