SCHEMBL17675273

SCHEMBL17675273

O=C1C(=C2CCOCC2)Cc2ccc(-c3cncnc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.36
ACHE P22303 1/20 0.35
PRKDC P78527 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
BACE1 P56817 6/20 0.33
CTSD P07339 3/20 0.33
KCNH2 Q12809 1/20 0.32
ERN1 O75460 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
OTUD7B Q6GQQ9 1/20 0.31
TNF P01375 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
SCHEMBL17675455 0.79 GRM2 (0.36) TDP2ACHEPRMT5WDR77BACE1
SCHEMBL17675492 0.75 TDP1 (0.46) TDP2ACHE
SCHEMBL17675238 0.71 PGR (0.41) BACE1
SCHEMBL17675689 0.66 BACE1 (0.39) BACE1CTSDOTUD7B
SCHEMBL17675444 0.66 BACE1 (0.37) TDP2ACHEPRKDCPRMT5WDR77
SCHEMBL446547 0.64 BACE1 (0.49) TDP2CYP2C19BACE1CTSDOTUD7B
SCHEMBL30285494 0.64 PARP10 (0.54) TDP2
SCHEMBL17675553 0.61 BACE1 (0.35) PRMT5WDR77CYP11B1CYP11B2CYP1A2
SCHEMBL6746651 0.60 CYP11B1 (0.55) TDP2CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL7928657 0.60 BACE1 (0.55) BACE1CTSDKCNH2

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 6 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
US-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-02 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
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 TDP2 178/4885ACHE 30/4885PRKDC 3382/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP TDP2 178/4885ACHE 30/4885PRKDC 3382/4885

“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.