SCHEMBL1421063

SCHEMBL1421063

C[C@H](O)CC(C)(N)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
KIF11 P52732 1/20 0.38
MAOA P21397 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
C1S P09871 1/20 0.33
PARP1 P09874 1/20 0.33
CHRNA7 P36544 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL3190006 1.00 CA1 (0.38) CA1CA2CA5ACA9KIF11
SCHEMBL1421062 1.00 CA1 (0.38) CA1CA2CA5ACA9KIF11
SCHEMBL875111 0.81 CA1 (0.43) CA1CA2CA5ACA9KIF11
SCHEMBL1173233 0.81 CA1 (0.43) CA1CA2CA5ACA9KIF11
SCHEMBL245881 0.81 CA1 (0.43) CA1CA2CA5ACA9KIF11
Hydrochloric Acid SCHEMBL17764387 0.80 CA1 (0.42) CA1CA2CA5ACA9KIF11
Hydrochloric Acid SCHEMBL17764391 0.80 CA1 (0.42) CA1CA2CA5ACA9KIF11
SCHEMBL1420802 0.77 CA1 (0.40) CA1CA2CA5ACA9KIF11
SCHEMBL1420807 0.77 CA1 (0.40) CA1CA2CA5ACA9KIF11
SCHEMBL21981929 0.74 CYP2C19 (0.47) CA1CA2CA5ACA9KIF11

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-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
EP-2297120-A1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Eli Lilly & Company (US) 2011-03-23 EP disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
WO-2009134617-A1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2009-11-05 WO disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 US 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-20090275566-A1 BACE INHIBITORS BACE1, BACE2, APP CA1 278/4885CA2 1048/4885CA5A 871/4885

“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.