SCHEMBL5118863

SCHEMBL5118863

COC(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 2/20 0.54
MCHR1 Q99705 1/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
SIGMAR1 Q99720 2/20 0.52
CHRM4 P08173 1/20 0.52
GAA P10253 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
DRD4 P21917 1/20 0.50
SLC6A12 P48065 1/20 0.50
SLC6A13 Q9NSD5 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL6154872 0.89 MEN1 (0.56) KDM4EHSD17B10MCHR1MEN1KMT2A
SCHEMBL6157012 0.87 OPRK1 (0.56) KDM4EMCHR1MEN1KMT2ASIGMAR1
SCHEMBL3491711 0.86 MEN1 (0.55) KDM4EHSD17B10MCHR1MEN1KMT2A
SCHEMBL8070227 0.83 ALDH1A1 (0.68) KDM4EHSD17B10MCHR1MEN1KMT2A
SCHEMBL3493730 0.83 MAPK1 (0.67) KDM4EHSD17B10MCHR1MEN1KMT2A
SCHEMBL4225304 0.82 MCHR1 (0.54) KDM4EHSD17B10MCHR1MEN1KMT2A
SCHEMBL6153323 0.81 SIGMAR1 (0.60) KDM4EHSD17B10MCHR1ALDH1A1SIGMAR1
SCHEMBL5115021 0.81 XDH (0.49) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5112887 0.80 ALDH1A1 (0.60) KDM4EMCHR1MEN1KMT2AALDH1A1
SCHEMBL6153565 0.80 SIGMAR1 (0.59) KDM4EHSD17B10MCHR1ALDH1A1SIGMAR1

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-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
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 KDM4E 2174/4885HSD17B10 1523/4885MCHR1 256/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 KDM4E 2174/4885HSD17B10 1523/4885MCHR1 256/4885

“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.