SCHEMBL2950247

SCHEMBL2950247

CCN1CCCC(c2ccc(N)c(OC)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD3 P35462 3/20 0.53
HTR2A P28223 1/20 0.50
ADORA2A P29274 1/20 0.45
DRD1 P21728 2/20 0.45
DRD4 P21917 2/20 0.45
DRD5 P21918 2/20 0.45
PDE4B Q07343 2/20 0.43

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
SCHEMBL2206957 0.90 DRD2 (0.62) DRD2DRD3DRD1DRD4DRD5
SCHEMBL11625021 0.88 DRD2 (0.53) DRD2DRD3HTR2ADRD1DRD4
SCHEMBL15283272 0.86 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3345716 0.85 PDE4B (0.45) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20725583 0.85 QDPR (0.49) DRD2
SCHEMBL521210 0.84 PDE4B (0.49) PDE4B
SCHEMBL521886 0.84 SLC6A2 (0.51) DRD2DRD3HTR2APDE4B
SCHEMBL20073494 0.80 ALDH1A1 (0.50) HTR2APDE4B
SCHEMBL3315662 0.80 PDE4B (0.61) PDE4B
SCHEMBL27715450 0.78 ALDH1A1 (0.48) HTR2APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 DRD2 4288/4885DRD3 4150/4885HTR2A 4348/4885

“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.