SCHEMBL8535101

SCHEMBL8535101

COc1ccc(CN2CCC3Oc4ccc(Br)cc4C(O)C3C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.40
CCR8 P51685 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
CXCR3 P49682 1/20 0.40
DRD4 P21917 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 2/20 0.37
MCHR1 Q99705 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL10237792 0.89 SLC18A3 (0.41) SLC18A3SIGMAR1DRD4SMN1; SMN2ACHE
SCHEMBL8531940 0.77 DRD2 (0.42) SLC18A3CCR8SIGMAR1CXCR3DRD4
SCHEMBL8537824 0.77 DRD2 (0.42) SLC18A3CCR8SIGMAR1CXCR3DRD4
SCHEMBL9932272 0.77 DRD4 (0.41) CCR8SIGMAR1CXCR3DRD4SMN1; SMN2
SCHEMBL8531446 0.77 DRD2 (0.42) SLC18A3CCR8SIGMAR1CXCR3DRD4
SCHEMBL8515074 0.77 DRD2 (0.42) SLC18A3CCR8SIGMAR1CXCR3DRD4
SCHEMBL22488317 0.69 ALDH1A1 (0.57) SLC18A3SIGMAR1DRD4SMN1; SMN2KDM4E
SCHEMBL22488321 0.69 ALDH1A1 (0.57) SLC18A3SIGMAR1DRD4SMN1; SMN2KDM4E
SCHEMBL13650590 0.69 ALDH1A1 (0.57) SLC18A3SIGMAR1DRD4SMN1; SMN2KDM4E
SCHEMBL10237802 0.67 DRD2 (0.43) SLC18A3CCR8SIGMAR1DRD4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 SLC18A3 282/4885CCR8 4797/4885SIGMAR1 4067/4885

“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.