SCHEMBL5115161

SCHEMBL5115161

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.49
TRPA1 O75762 1/20 0.44
WDR5 P61964 2/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
OPRL1 P41146 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL5120140 0.87 P2RX4 (0.49) P2RX4ALOX5MAPTALDH1A1SMN1; SMN2
SCHEMBL3173450 0.86 TRPA1 (0.43) P2RX4TRPA1ALOX5MAPTALDH1A1
SCHEMBL5119452 0.86 CHRM4 (0.48) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5507953 0.85 P2RX4 (0.46) P2RX4TRPA1WDR5ALOX5MAPT
SCHEMBL5125316 0.82 OPRD1 (0.45) P2RX4HPGD
SCHEMBL5118932 0.80 NPC1 (0.43) P2RX4ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL5118934 0.80 NPC1 (0.43) P2RX4ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL14051649 0.78 P2RX4 (0.45) P2RX4ALDH1A1
SCHEMBL14015224 0.77 P2RX4 (0.44) P2RX4MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL5503522 0.75 P2RX4 (0.46) P2RX4MAPTSMN1; SMN2NPSR1MEN1

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 P2RX4 147/4885TRPA1 84/4885WDR5 3118/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 P2RX4 147/4885TRPA1 84/4885WDR5 3118/4885

“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.