SCHEMBL5116584

SCHEMBL5116584

c1ccc(CCN2CCC(N3c4ccccc4Sc4cc(-c5cccnc5)ccc43)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
DRD4 P21917 2/20 0.49
GSK3B P49841 1/20 0.46
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PRCP P42785 1/20 0.39
KDM1A O60341 1/20 0.39
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38
OPRM1 P35372 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CCR3 P51677 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
SCHEMBL5115110 0.89 DRD2 (0.47) DRD2DRD4PRCPKDM1AMAPT
SCHEMBL5506511 0.87 DRD2 (0.46) DRD2DRD4GSK3BPRCPKDM1A
SCHEMBL5121453 0.83 DRD2 (0.49) DRD2DRD4GSK3BCYP11B1CYP11B2
SCHEMBL5112936 0.82 DRD2 (0.40) DRD2DRD4GSK3BCYP11B1CYP11B2
SCHEMBL28770473 0.80 DRD2 (0.39) DRD2CYP11B1CYP11B2
SCHEMBL5120594 0.80 CYP11B2 (0.42) DRD2CYP11B1CYP11B2KDM1A
SCHEMBL5115279 0.80 ACHE (0.44) DRD2KDM1AMAPTACHEOPRM1
SCHEMBL3167913 0.76 CYP11B2 (0.41) DRD2CYP11B1CYP11B2
SCHEMBL5504474 0.76 DRD2 (0.43) DRD2DRD4PRCPKDM1AMAPT
SCHEMBL3178366 0.74 OPRD1 (0.38) DRD2CYP11B1CYP11B2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 495/4885GSK3B 594/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 DRD2 205/4885DRD4 495/4885GSK3B 594/4885

“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.