SCHEMBL5111674

SCHEMBL5111674

Brc1ccc2c(c1)Sc1ccccc1N2C1CCN(Cc2cccs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.43
DRD3 P35462 5/20 0.43
DRD2 P14416 4/20 0.43
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIM1 P11309 1/20 0.39
DRD5 P21918 1/20 0.38
PARP1 P09874 2/20 0.38
KDM1A O60341 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL5505801 0.85 DRD4 (0.46) DRD4DRD3DRD2CHRM2CHRM3
SCHEMBL5118837 0.80 L3MBTL1 (0.43) DRD4DRD2KDM4EPOLBSMN1; SMN2
Acetamide SCHEMBL27689339 0.80 PARP1 (0.45) DRD4DRD3DRD2CHRM2CHRM3
SCHEMBL5119371 0.79 OPRM1 (0.47) ALDH1A1POLBMAPTSMN1; SMN2PARP1
SCHEMBL5115279 0.78 ACHE (0.44) DRD2MAPTPIM1KDM1AHTR2A
SCHEMBL5119561 0.78 PIM1 (0.48) DRD3DRD2CHRM2CHRM3PIM1
SCHEMBL5500227 0.78 PARP1 (0.41) DRD4DRD3DRD2CHRM2CHRM3
SCHEMBL5118380 0.77 PARP1 (0.39) DRD4CHRM2CHRM3HTTKDM4E
SCHEMBL8008100 0.77 DRD4 (0.45) DRD4DRD3DRD2CHRM2CHRM3
SCHEMBL3168391 0.74 PIM1 (0.41) DRD3DRD2CHRM3PIM1KDM1A

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 10 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
CN-101128460-A Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN 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 495/4885DRD3 241/4885DRD2 205/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 DRD4 495/4885DRD3 241/4885DRD2 205/4885

“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.