SCHEMBL5091881

SCHEMBL5091881

c1ccc(CN2CCC(C3c4ccccc4Oc4cc(-c5cccnc5)ccc43)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ WNT1 P04628 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ BACE1 P56817 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ DRD4 P21917 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ TRPV6 Q9H1D0 1/20 0.40

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
SCHEMBL5091955 0.90 DRD2 (0.49) ACHEGSK3BSIGMAR1DRD4DRD2
SCHEMBL5103707 0.90 ACHE (0.38) ACHEGSK3BWNT1DYRK1ABACE1
SCHEMBL5094777 0.89 ACHE (0.44) ACHEGSK3BWNT1DYRK1ABACE1
SCHEMBL5091017 0.87 ABCB1 (0.43) ACHEGSK3BWNT1DYRK1ABACE1
SCHEMBL5094857 0.85 PARP1 (0.39) ACHEGSK3BWNT1DYRK1ABACE1
SCHEMBL4508291 0.85 KCNH2 (0.37) S1PR1
SCHEMBL14012185 0.85 ACHE (0.34) ACHEGSK3BWNT1DYRK1ABACE1
SCHEMBL27706460 0.82 CYP11B1 (0.38) BACE1GBA1
SCHEMBL5094873 0.80 CYP1A2 (0.43) WNT1DYRK1AKDM1A
SCHEMBL4508407 0.79 HRH3 (0.39) GSK3BDRD4DRD2

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 ACHE 303/4885GSK3B 594/4885WNT1 2241/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ACHE 303/4885GSK3B 594/4885WNT1 2241/4885

“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.

Send feedback