SCHEMBL4697941

SCHEMBL4697941

N#Cc1cccc(C2COCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD3 P35462 8/20 0.44
CYP19A1 P11511 1/20 0.42
LDHA P00338 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP1 P29466 1/20 0.37
PARP1 P09874 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
USP30 Q70CQ3 1/20 0.36
BACE1 P56817 1/20 0.35

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
SCHEMBL16412900 0.88 DRD2 (0.50) DRD2DRD3CYP19A1LDHAABCC9
SCHEMBL4378996 0.88 DRD2 (0.50) DRD2DRD3CYP19A1LDHAABCC9
SCHEMBL29813085 0.88 DRD2 (0.50) DRD2DRD3CYP19A1LDHAABCC9
SCHEMBL6540021 0.88 DRD2 (0.50) DRD2DRD3CYP19A1LDHAABCC9
SCHEMBL4698144 0.86 DRD2 (0.43) DRD2DRD3CYP19A1LDHAABCC9
SCHEMBL12257871 0.84 HTR2C (0.47) DRD2DRD3TSHRPARP1
SCHEMBL31332598 0.78 DRD2 (0.51) DRD2DRD3CYP19A1LDHAABCC9
SCHEMBL1556706 0.75 DRD3 (0.51) DRD2DRD3CYP19A1TSHRPARP1
SCHEMBL8234528 0.74 DRD2 (0.44) DRD2DRD3CYP19A1LDHAABCC9
SCHEMBL4699085 0.74 DRD2 (0.51) DRD2DRD3CYP19A1ABCC9ABCC8

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 4 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

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 4828/4885CYP19A1 3031/4885

“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.