SCHEMBL5115216

SCHEMBL5115216

CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD4 P21917 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OXTR P30559 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CXCR3 P49682 1/20 0.38
SRPK1 Q96SB4 3/20 0.38

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
SCHEMBL13395105 0.89 OPRM1 (0.38) L3MBTL1KDM4ECHRM1SMN1; SMN2HRH3
SCHEMBL3174274 0.89 OPRM1 (0.38) L3MBTL1KDM4ECHRM1SMN1; SMN2HRH3
SCHEMBL5122808 0.87 MEN1 (0.45) KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL5111497 0.86 PARP1 (0.41) PARP1ALDH1A1HRH3
SCHEMBL5115636 0.85 HRH3 (0.41) L3MBTL1KDM4EWNT1GSK3BDYRK1A
SCHEMBL5115336 0.84 PARP1 (0.39) KDM4ECYP2D6CYP2C19PARP1ALDH1A1
SCHEMBL5119389 0.84 CHRM2 (0.37) ALDH1A1CHRM1HRH3SRPK1
SCHEMBL5090965 0.83 KDM4E (0.42) L3MBTL1KDM4EWNT1GSK3BDYRK1A
SCHEMBL5112158 0.82 SIGMAR1 (0.41) KDM4EALDH1A1
SCHEMBL14015557 0.82 HRH3 (0.34) ALDH1A1HRH3

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 11 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-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-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 L3MBTL1 2619/4885KDM4E 2174/4885WNT1 2241/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 L3MBTL1 2619/4885KDM4E 2174/4885WNT1 2241/4885

“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.