SCHEMBL5116631

SCHEMBL5116631

c1ccc(CN2CCC(N3c4ccccc4Oc4cc(-c5ccncc5)ccc43)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.47
DRD2 P14416 9/20 0.47
DRD3 P35462 9/20 0.47
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
CCR5 P51681 1/20 0.43
TSHR P16473 1/20 0.42
LSS P48449 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
TRPV6 Q9H1D0 1/20 0.39

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
SCHEMBL5115251 0.90 DRD2 (0.47) DRD4DRD2OPRM1OPRK1OPRL1
SCHEMBL5111706 0.89 DRD2 (0.37) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL5121438 0.89 DRD4 (0.47) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL5112952 0.87 L3MBTL1 (0.41) DRD4TSHRTRPV6
SCHEMBL5119723 0.87 DRD4 (0.40) DRD4DRD2DRD3SIGMAR1
SCHEMBL5509159 0.85 DRD4 (0.43) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL5112352 0.82 OPRM1 (0.49) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL14015228 0.81 OPRM1 (0.48) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL5119736 0.80 PIM1 (0.40)
SCHEMBL5121453 0.79 DRD2 (0.49) DRD4DRD2OPRM1

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 DRD4 495/4885DRD2 205/4885DRD3 241/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 DRD4 495/4885DRD2 205/4885DRD3 241/4885

“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.