SCHEMBL5094870

SCHEMBL5094870

N#Cc1ccc2c(c1)Oc1c(O)cccc1C2C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ TRPV6 Q9H1D0 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL5195490 0.81 L3MBTL1 (0.40) SIGMAR1L3MBTL1CHRM4KDM4ESMN1; SMN2
SCHEMBL5090863 0.77 ALDH1A1 (0.38) KDM4ESMN1; SMN2DRD2DRD3
SCHEMBL5097000 0.72 L3MBTL1 (0.41) SIGMAR1L3MBTL1KDM4ESMN1; SMN2PARP1
SCHEMBL5195500 0.70 L3MBTL1 (0.41) SIGMAR1L3MBTL1CHRM4KDM4ESMN1; SMN2
SCHEMBL5094777 0.70 ACHE (0.44) SIGMAR1SMN1; SMN2POLB
SCHEMBL5090812 0.70 OPRD1 (0.50) L3MBTL1KDM4ESMN1; SMN2PARP1DRD4
SCHEMBL4517596 0.69 OPRM1 (0.37) CYP2D6
SCHEMBL5094849 0.68 L3MBTL1 (0.39) SIGMAR1L3MBTL1KDM4ESMN1; SMN2PARP1
SCHEMBL5090965 0.67 KDM4E (0.42) L3MBTL1CHRM4KDM4ESMN1; SMN2PARP1
SCHEMBL14012602 0.66 HSD17B1 (0.43) KDM4EDRD2DRD3CYP2C19CYP2D6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US claimed
CN-101128458-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 — — CN claimed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 — — EP claimed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO claimed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 — — US claimed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
CN-101128458-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 — — CN disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 — — EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 — — 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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SIGMAR1 7/4885L3MBTL1 2619/4885CHRM4 163/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SIGMAR1 7/4885L3MBTL1 2619/4885CHRM4 163/4885

“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.

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