SCHEMBL5122802

SCHEMBL5122802

c1ccc(CCN2CCC(N3c4ccccc4Oc4cc(-c5nnn[nH]5)ccc43)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.39
DRD4 P21917 7/20 0.39
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.37
DRD3 P35462 3/20 0.37
CCR3 P51677 1/20 0.36
PRCP P42785 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL5503914 0.87 DRD2 (0.35) DRD2DRD4MAPTACHEDRD3
SCHEMBL13394757 0.86 HRH3 (0.39) DRD2HTR2AHTR2CKCNH2
SCHEMBL3181359 0.86 HRH3 (0.39) DRD2HTR2AHTR2CKCNH2
SCHEMBL5120461 0.83 KDM4E (0.36) DRD2DRD4MAPTDRD3
SCHEMBL5118941 0.82 TRPV6 (0.38) DRD4MAPT
SCHEMBL5116641 0.82 DRD2 (0.41) DRD2DRD4MAPTDRD3HTR2A
SCHEMBL5115251 0.82 DRD2 (0.47) DRD2DRD4MAPTACHECCR3
SCHEMBL5115349 0.81 PIM1 (0.38) MAPTHTR2AHTR2C
SCHEMBL5118612 0.81 ALOX15 (0.39) DRD2DRD4MAPTDRD3KCNH2
SCHEMBL5090837 0.80 DRD2 (0.39) DRD2DRD4ACHEDRD3CCR3

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 DRD2 205/4885DRD4 495/4885MAPT 1156/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 DRD2 205/4885DRD4 495/4885MAPT 1156/4885

“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.