SCHEMBL445599

SCHEMBL445599

CC1(C)Cc2ccc(Br)cc2C(N)(CCO)C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.38
APP P05067 14/20 0.38
PNMT P11086 1/20 0.31
KDM1A O60341 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
SCHEMBL445583 0.78 APP (0.35) BACE1APP
SCHEMBL430320 0.68 APP (0.34) BACE1APP
Hydrochloric Acid SCHEMBL2390619 0.65 BACE1 (0.40) BACE1APPKDM1A
SCHEMBL1794485 0.65 PNMT (0.40) BACE1APPPNMT
SCHEMBL19530386 0.64 BACE1 (0.56) BACE1APP
SCHEMBL429166 0.64 BACE1 (0.44) BACE1APP
SCHEMBL445389 0.63 BACE1 (0.65) BACE1APP
SCHEMBL3346479 0.62 PNMT (0.38) BACE1APPPNMTKDM1A
SCHEMBL430947 0.62 AKR1B1 (0.43) BACE1
SCHEMBL7920039 0.62 PNMT (0.39) PNMTKDM1A

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 BACE1 2/4885APP 1/4885PNMT 1220/4885

“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.