SCHEMBL5094857

SCHEMBL5094857

c1cncc(-c2ccc3c(c2)Oc2ccccc2C3C2CCN(Cc3ncc[nH]3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ SMO Q99835 1/20 0.36
▸ ACHE P22303 3/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ WNT1 P04628 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ CYP11B1 P15538 3/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 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
SCHEMBL4508609 0.86 ADRA2A (0.35) PARP1ADRA2AADRA1AHTR2BCYP11B1
SCHEMBL5091881 0.85 ACHE (0.46) ACHEGSK3BBACE1WNT1DYRK1A
SCHEMBL5103707 0.83 ACHE (0.38) SMOACHEGSK3BBACE1WNT1
SCHEMBL5091017 0.82 ABCB1 (0.43) PARP1ALOX15ACHEGSK3BBACE1
SCHEMBL5103268 0.81 PARP1 (0.40) PARP1ALOX15HTR2BEGLN1ALDH1A1
SCHEMBL5091955 0.80 DRD2 (0.49) ACHEGSK3BHTR2BCYP11B1CYP11B2
SCHEMBL14012185 0.80 ACHE (0.34) SMOACHEGSK3BBACE1WNT1
SCHEMBL5094873 0.78 CYP1A2 (0.43) ALOX15WNT1DYRK1ACYP11B1CYP11B2
SCHEMBL5090930 0.76 OPRD1 (0.48) PARP1ALDH1A1
SCHEMBL27706460 0.76 CYP11B1 (0.38) BACE1CYP11B1CYP11B2ALDH1A1TNIK

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 PARP1 4298/4885ALOX15 1604/4885SMO 3942/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PARP1 4298/4885ALOX15 1604/4885SMO 3942/4885

“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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