SCHEMBL5118941

SCHEMBL5118941

c1ccc(CN2CCC(N3c4ccccc4Oc4cc(-c5nnn[nH]5)ccc43)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 2/20 0.35
OXTR P30559 1/20 0.34
TACR3 P29371 1/20 0.34
CTSS P25774 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD4 P21917 1/20 0.34
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33

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
SCHEMBL3167979 0.87 OPRM1 (0.35) TRPV6MAPK1
SCHEMBL13394744 0.87 OPRM1 (0.35) TRPV6MAPK1
SCHEMBL5118612 0.86 ALOX15 (0.39) ALDH1A1MAPTPARP1CTSSDRD4
SCHEMBL5114019 0.84 HRH3 (0.38) TRPV6L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL5120461 0.83 KDM4E (0.36) KDM4EALDH1A1MAPTTSHRCTSS
SCHEMBL5112952 0.83 L3MBTL1 (0.41) TRPV6L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL5126302 0.83 L3MBTL1 (0.38) L3MBTL1KDM4ESMN1; SMN2PARP1OXTR
SCHEMBL5122802 0.82 DRD2 (0.39) MAPTDRD4
SCHEMBL5112888 0.81 CYP11B1 (0.40) TRPV6L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL5115349 0.80 PIM1 (0.38) L3MBTL1ALDH1A1MAPTSMN1; SMN2KMT2A

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-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
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 TRPV6 80/4885L3MBTL1 2619/4885KDM4E 2174/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 TRPV6 80/4885L3MBTL1 2619/4885KDM4E 2174/4885

“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.