SCHEMBL1995344

SCHEMBL1995344

CCN(CC)C(=O)c1cc(Br)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.62
HSP90AB1 P08238 7/20 0.62
USP2 O75604 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 3/20 0.56
CYP1A2 P05177 2/20 0.56
CES2 O00748 1/20 0.56
GALR3 O60755 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
CYP2C19 P33261 1/20 0.56
GSTA1 P08263 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 2/20 0.47
GFER P55789 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL471624 0.86 USP2 (0.54) HSP90AA1HSP90AB1USP2L3MBTL1NPSR1
SCHEMBL10082156 0.83 USP2 (0.57) HSP90AA1HSP90AB1USP2L3MBTL1NPSR1
SCHEMBL9280753 0.81 KDM4E (0.56) HSP90AA1HSP90AB1USP2L3MBTL1NPSR1
SCHEMBL18570098 0.81 HSP90AA1 (0.64) HSP90AA1HSP90AB1NPSR1HPGDCYP1A2
SCHEMBL12261048 0.80 CES2 (0.68) L3MBTL1NPSR1HPGDCYP1A2CES2
SCHEMBL14052325 0.80 USP2 (0.55) HSP90AA1HSP90AB1USP2L3MBTL1NPSR1
SCHEMBL487475 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1USP2CYP1A2ALDH1A1
SCHEMBL17774878 0.79 HSP90AA1 (0.62) HSP90AA1HSP90AB1L3MBTL1NPSR1HPGD
SCHEMBL487950 0.79 HSP90AA1 (0.62) HSP90AA1HSP90AB1USP2L3MBTL1NPSR1
SCHEMBL2170651 0.79 HPGD (0.57) HSP90AA1HSP90AB1USP2L3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 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-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HSP90AA1 1775/4885HSP90AB1 1341/4885USP2 3584/4885

“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.