SCHEMBL5115110

SCHEMBL5115110

c1ccc(CCN2CCC(N3c4ccccc4Sc4cc(-c5ccncc5)ccc43)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.40
CCR3 P51677 1/20 0.39
OPRM1 P35372 1/20 0.39
PRCP P42785 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL5116584 0.89 DRD2 (0.49) DRD2DRD4KDM1AMAPTACHE
SCHEMBL5504474 0.86 DRD2 (0.43) DRD2DRD4KDM1AMAPTACHE
SCHEMBL5115279 0.82 ACHE (0.44) DRD2KDM1AMAPTACHECCR3
SCHEMBL5115251 0.82 DRD2 (0.47) DRD2DRD4MAPTACHECCR3
SCHEMBL5112159 0.81 HRH3 (0.43) DRD2DRD4KDM1AOPRM1HRH3
SCHEMBL27689337 0.79 DRD2 (0.37) DRD2KDM1AMAPTOPRM1HRH3
SCHEMBL5506511 0.76 DRD2 (0.46) DRD2DRD4KDM1AMAPTACHE
SCHEMBL5111729 0.73 NPC1 (0.49) DRD4OPRM1HRH3
SCHEMBL5504518 0.72 KDM1A (0.40) KDM1AMAPTACHECCR3OPRM1
SCHEMBL5121453 0.72 DRD2 (0.49) DRD2DRD4MAPTACHEOPRM1

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
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
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 495/4885KDM1A 1934/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 DRD2 205/4885DRD4 495/4885KDM1A 1934/4885

“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.