SCHEMBL2371422

SCHEMBL2371422

COc1ccc2c(c1)C(C)(O)c1cc(Br)cnc1O2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.40
DYRK1B Q9Y463 1/20 0.36
RAB9A P51151 3/20 0.34
PDK2 Q15119 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CTSD P07339 3/20 0.34
NPC1 O15118 3/20 0.33
EGFR P00533 2/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL2000703 0.90 PDK2 (0.39) BACE1RAB9APDK2NPC1EGFR
SCHEMBL2371927 0.82 BACE1 (0.35) BACE1
SCHEMBL15518128 0.81 BACE1 (0.34) BACE1RAB9APDK2ALDH1A1HPGD
SCHEMBL1994572 0.78 BACE1 (0.44) BACE1
SCHEMBL2371208 0.77 BACE1 (0.37) BACE1RAB9APDK2CTSDNPC1
SCHEMBL1995844 0.75 BACE1 (0.61) BACE1CTSD
SCHEMBL15509817 0.75 BACE1 (0.61) BACE1CTSD
SCHEMBL2371327 0.73 AKR1B1 (0.39) BACE1CTSDEGFR
SCHEMBL2370839 0.70 BACE1 (0.37) BACE1SMN1; SMN2CTSD
SCHEMBL1997006 0.69 EGFR (0.36) DYRK1BRAB9APOLBHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885DYRK1B 3294/4885RAB9A 732/4885

“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.