SCHEMBL1998955

SCHEMBL1998955

CCN(CC)C(=O)c1cc(Br)ccc1Oc1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 3/20 0.39
LMNA P02545 4/20 0.38
GFER P55789 1/20 0.38
SCN9A Q15858 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7927435 0.86 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL2370957 0.84 USP2 (0.42) ALDH1A1L3MBTL1MAPTUSP2TSHR
SCHEMBL1997028 0.82 GRM5 (0.39) ALDH1A1L3MBTL1MAPTLMNASCN9A
SCHEMBL570986 0.77 USP2 (0.45) ALDH1A1L3MBTL1MAPTUSP2TSHR
SCHEMBL571261 0.76 USP2 (0.43) L3MBTL1MAPTUSP2LMNAGFER
SCHEMBL15448602 0.73 USP2 (0.42) ALDH1A1L3MBTL1MAPTUSP2TSHR
SCHEMBL9326920 0.71 MEN1 (0.57) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL2371535 0.70 USP2 (0.47) L3MBTL1USP2LMNASCN9AKDM4E
SCHEMBL3552169 0.69 USP2 (0.52) ALDH1A1L3MBTL1MAPTUSP2TSHR
SCHEMBL9321390 0.69 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTTSHRLMNA

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
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
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
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

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 ALDH1A1 392/4885L3MBTL1 2471/4885MAPT 788/4885

“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.