SCHEMBL5096921

SCHEMBL5096921

Oc1cccc2c1Oc1cc(-c3cccnc3)ccc1C2C1CCN(Cc2cccs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ DRD4 P21917 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CYP11B2 P19099 4/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ BRAF P15056 4/20 0.35
▸ SMO Q99835 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CYP11B1 P15538 3/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL5091017 0.89 ABCB1 (0.43) ABCB1ABCC1ABCG2DRD4SIGMAR1
SCHEMBL5094777 0.87 ACHE (0.44) SIGMAR1BRAFSMOACHEGSK3B
SCHEMBL4521665 0.87 OPRM1 (0.36) ABCB1ABCC1ABCG2CYP11B2CLK4
SCHEMBL5103280 0.84 OPRD1 (0.41) CYP11B2BRAFCYP11B1DRD2DRD3
SCHEMBL5094733 0.79 MKNK1 (0.41) CYP11B2CLK4BRAFCYP11B1KDM4E
SCHEMBL5094738 0.78 ALDH1A1 (0.39) DRD4SIGMAR1PARP1KDM4EALDH1A1
SCHEMBL4511841 0.76 CYP11B1 (0.38) CYP11B2BRAFGSK3BCYP11B1CYP1A2
SCHEMBL5091881 0.76 ACHE (0.46) DRD4SIGMAR1ACHEGSK3BDRD2
SCHEMBL4508235 0.76 KCNH2 (0.36) ACHEGSK3BALDH1A1CYP2D6HSD17B10
SCHEMBL4518047 0.75 CLK4 (0.37) ABCB1ABCC1ABCG2CYP11B2CLK4

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 ABCB1 686/4885ABCC1 3327/4885ABCG2 1612/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ABCB1 686/4885ABCC1 3327/4885ABCG2 1612/4885

“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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