SCHEMBL5115021

SCHEMBL5115021

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.43
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
ALOX15 P16050 2/20 0.42
YAP1 P46937 1/20 0.42
WDR5 P61964 1/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL24100991 0.85 ALOX15 (0.56) XDHCA12CA1CA2CA7
SCHEMBL3185476 0.82 CYP2D6 (0.51) XDHCA12CA1CA2CA7
SCHEMBL5118863 0.81 KDM4E (0.54) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL23448724 0.79 LMNA (0.58) ALDH1A1LMNAHPGDMAPTNPC1
SCHEMBL13841058 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EGAALMNACHEK1
SCHEMBL24100583 0.78 XDH (0.44) XDHCA12CA1CA2CA7
SCHEMBL13841050 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EGAALMNACHEK1
SCHEMBL26251141 0.76 POLB (0.58) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19245337 0.76 ALOX15 (0.59) CA12CA1CA2CA7CA9
SCHEMBL14015223 0.76 KDM4E (0.41) ALDH1A1KDM4EGAAHPGDMAPT

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-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 XDH 2493/4885CA12 3154/4885CA1 3174/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 XDH 2493/4885CA12 3154/4885CA1 3174/4885

“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.