SCHEMBL10249638

SCHEMBL10249638

[2H]C([2H])([2H])C#Cc1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
CYP2A6 P11509 3/20 0.34
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL931245 0.86 GRM5 (0.51) GRM5CYP2A6POLBHCAR2HTT
SCHEMBL1477377 0.74 GRM5 (0.49) GRM5CYP2A6POLBHCAR2HTT
SCHEMBL8486570 0.74 GRM5 (0.47) GRM5CYP2A6POLBHCAR2HTT
SCHEMBL9948053 0.73 GRM5 (0.47) GRM5CYP2A6POLBHCAR2HTT
SCHEMBL1477046 0.71 GRM5 (0.55) GRM5HTT
SCHEMBL5742874 0.69 GRM5 (0.38) GRM5CYP2A6
SCHEMBL19567095 0.69 GRM5 (0.44) GRM5CYP2A6POLBHCAR2HTT
SCHEMBL3722709 0.69 GRM5 (0.48) GRM5CYP2A6POLBHCAR2HTT
SCHEMBL3802122 0.69 GRM5 (0.44) GRM5CYP2A6POLBHCAR2HTT
SCHEMBL3665917 0.69 CYP2A6 (0.54) GRM5CYP2A6HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 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 (2 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-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP GRM5 2512/4885CYP2A6 3946/4885POLB 129/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP GRM5 2512/4885CYP2A6 3946/4885POLB 129/4885

“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.