SCHEMBL14012185

SCHEMBL14012185

C1=C(CN2CCC(C3c4ccccc4Oc4cc(-c5cccnc5)ccc43)CC2)SCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ CYP11B1 P15538 5/20 0.34
▸ CYP11B2 P19099 5/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL5091881 0.85 ACHE (0.46) ACHEGSK3BBACE1DRD2DRD3
SCHEMBL5091017 0.83 ABCB1 (0.43) ACHEGSK3BBACE1CYP11B1CYP11B2
SCHEMBL14015556 0.81 CYP11B2 (0.38) ACHEGSK3BBACE1CYP11B1CYP11B2
SCHEMBL5103707 0.81 ACHE (0.38) ACHEGSK3BBACE1CYP11B1CYP11B2
SCHEMBL5094857 0.80 PARP1 (0.39) ACHEGSK3BBACE1CYP11B1CYP11B2
SCHEMBL5091955 0.79 DRD2 (0.49) ACHEGSK3BCYP11B1CYP11B2DRD2
SCHEMBL27706460 0.75 CYP11B1 (0.38) BACE1CYP11B1CYP11B2TNIK
SCHEMBL5094873 0.75 CYP1A2 (0.43) CYP11B1CYP11B2WNT1DYRK1AMKNK1
SCHEMBL5094777 0.75 ACHE (0.44) ACHEGSK3BBACE1WNT1DYRK1A
SCHEMBL5096924 0.74 PIK3CA (0.43) CYP11B1CYP11B2DRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — 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 (1 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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ACHE 303/4885GSK3B 594/4885BACE1 2686/4885

“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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