SCHEMBL17675490

SCHEMBL17675490

C=C1c2cc(Br)ccc2CC12C[C@@H](C)C(OC)[C@@H](C)C2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.45
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
METAP1 P53582 1/20 0.31
ADRA2A P08913 1/20 0.30
PNMT P11086 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL15748819 1.00 BACE1 (0.45) BACE1HTR2AHTR2CHTR2BMETAP1
SCHEMBL17675567 0.91 BACE1 (0.43) BACE1
SCHEMBL17675384 0.84 BACE1 (0.45) BACE1HTR2AHTR2CHTR2B
SCHEMBL17088024 0.84 BACE1 (0.45) BACE1HTR2AHTR2CHTR2BADRA2A
SCHEMBL15357673 0.84 BACE1 (0.45) BACE1HTR2AHTR2CHTR2B
SCHEMBL19514273 0.84 BACE1 (0.47) BACE1
SCHEMBL19514233 0.84 BACE1 (0.47) BACE1
SCHEMBL19534477 0.81 BACE1 (0.43) BACE1
SCHEMBL1465861 0.78 BACE1 (0.45) BACE1
SCHEMBL1465862 0.78 BACE1 (0.45) BACE1

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-10053453-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-08-21 US disclosed
US-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-02 US disclosed
WO-2016055858-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2016-04-14 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 (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-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885HTR2A 645/4885HTR2C 1643/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885HTR2A 645/4885HTR2C 1643/4885

“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.