SCHEMBL4697009

SCHEMBL4697009

N#Cc1cccc(C2CCCCO2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.50
DRD3 P35462 11/20 0.50
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP1 P29466 1/20 0.42
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CYP19A1 P11511 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 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
SCHEMBL4699085 0.95 DRD2 (0.51) DRD2DRD3POLBCYP2D6TSHR
SCHEMBL31332598 0.90 DRD2 (0.51) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL9906430 0.80 KCNH2 (0.46) CYP19A1
SCHEMBL6540021 0.80 DRD2 (0.50) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL16412900 0.80 DRD2 (0.50) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL4378996 0.80 DRD2 (0.50) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL29813085 0.80 DRD2 (0.50) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL1780656 0.79 DRD2 (0.50) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL4698144 0.78 DRD2 (0.43) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL23472129 0.77 DRD2 (0.64) DRD2DRD3PRKACAPRKACGPRKACB

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
EP-1937638-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 WO disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 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-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, ASPH DRD2 4859/4885DRD3 4828/4885POLB 2744/4885

“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.