SCHEMBL5118069

SCHEMBL5118069

COC(=O)c1ccc2c(c1)Oc1c(OC)cccc1N2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A12 P48065 2/20 0.44
CCR3 P51677 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM4 P08173 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43

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
SCHEMBL5126292 0.93 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2ASLC6A12
SCHEMBL5111526 0.90 KDM4E (0.46) ALDH1A1KDM4EKMT2ASLC6A12SIGMAR1
SCHEMBL5115898 0.88 OPRD1 (0.47) ALDH1A1KDM4EOPRM1OPRD1OPRK1
SCHEMBL5119452 0.88 CHRM4 (0.48) ALDH1A1KDM4EMEN1KMT2ASLC6A12
SCHEMBL5505147 0.87 KDM4E (0.45) ALDH1A1KDM4ESLC6A12SIGMAR1
SCHEMBL14051771 0.86 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2AOPRM1
SCHEMBL14051772 0.84 DRD2 (0.43) ALDH1A1KDM4EMEN1KMT2AOPRM1
SCHEMBL5114230 0.82 OPRD1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL5506035 0.82 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2ASLC6A12
SCHEMBL5504897 0.80 SLC6A12 (0.47) ALDH1A1KMT2ASLC6A12SIGMAR1OPRM1

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 8 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
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 ALDH1A1 1302/4885KDM4E 2174/4885MEN1 4869/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ALDH1A1 1302/4885KDM4E 2174/4885MEN1 4869/4885

“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.