SCHEMBL5115820

SCHEMBL5115820

O=C(O)c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 3/20 0.52
SLC6A13 Q9NSD5 2/20 0.52
ACHE P22303 4/20 0.50
BCHE P06276 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
LTA4H P09960 3/20 0.47
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL5119452 0.89 CHRM4 (0.48) SLC6A12SLC6A13ACHEBCHEOPRM1
SCHEMBL5504897 0.88 SLC6A12 (0.47) SLC6A12SLC6A13ACHEBCHEOPRM1
SCHEMBL5112789 0.87 OPRD1 (0.51) OPRM1OPRK1
SCHEMBL5503754 0.85 OPRM1 (0.45) SLC6A12SLC6A13ACHEBCHEOPRM1
SCHEMBL5116098 0.85 NPC1 (0.48) SLC6A12SLC6A13ACHEBCHEOPRM1
SCHEMBL5116103 0.85 NPC1 (0.48) SLC6A12SLC6A13ACHEBCHEOPRM1
SCHEMBL5126292 0.85 KDM4E (0.49) SLC6A12SLC6A13ACHESIGMAR1ALDH1A1
SCHEMBL5112352 0.84 OPRM1 (0.49) ACHEBCHEOPRM1OPRK1OPRL1
SCHEMBL5120140 0.84 P2RX4 (0.49) MAPK1TSHRALDH1A1DRD4MAPT
SCHEMBL14015228 0.83 OPRM1 (0.48) ACHEOPRM1OPRK1OPRL1TSHR

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-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-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 SLC6A12 820/4885SLC6A13 835/4885ACHE 303/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SLC6A12 820/4885SLC6A13 835/4885ACHE 303/4885

“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.