SCHEMBL5091017

SCHEMBL5091017

c1cncc(-c2ccc3c(c2)Oc2ccccc2C3C2CCN(Cc3cccs3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.38
▸ CYP11B2 P19099 4/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CYP11B1 P15538 3/20 0.35
▸ ACHE P22303 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ DRD3 P35462 2/20 0.35

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
SCHEMBL5096921 0.89 ABCB1 (0.40) ABCB1ABCC1ABCG2SIGMAR1CLK4
SCHEMBL5091881 0.87 ACHE (0.46) SIGMAR1ACHEGSK3BBACE1DRD3
SCHEMBL4518047 0.86 CLK4 (0.37) ABCB1ABCC1ABCG2CLK4CYP11B2
SCHEMBL14012185 0.83 ACHE (0.34) CYP11B2CYP11B1ACHEGSK3BBACE1
SCHEMBL5103707 0.83 ACHE (0.38) CYP11B2CYP11B1ACHEGSK3BBACE1
SCHEMBL5094857 0.82 PARP1 (0.39) CYP11B2PARP1CYP11B1ACHEGSK3B
SCHEMBL5091955 0.81 DRD2 (0.49) SIGMAR1CYP11B2CYP11B1ACHEGSK3B
SCHEMBL5127867 0.80 ABCB1 (0.43) ABCB1ABCC1ABCG2CLK4CYP11B2
SCHEMBL27706460 0.77 CYP11B1 (0.38) CYP11B2CYP11B1BACE1MEN1KMT2A
SCHEMBL5094873 0.77 CYP1A2 (0.43) CLK4CYP11B2CYP11B1MEN1CYP1A2

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-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
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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