SCHEMBL3589097

SCHEMBL3589097

CN1C(=O)[C@@H](N)C=C(c2ccccc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.57
GABRG2 P18507 3/20 0.57
GABRB3 P28472 3/20 0.57
GABRA5 P31644 3/20 0.57
GABRA3 P34903 3/20 0.57
GABRA2 P47869 3/20 0.57
GABRB2 P47870 3/20 0.57
GABRP O00591 2/20 0.57
GABRD O14764 2/20 0.57
GABRB1 P18505 2/20 0.57
GABRA4 P48169 2/20 0.57
GABRE P78334 2/20 0.57
GABRA6 Q16445 2/20 0.57
GABRG1 Q8N1C3 2/20 0.57
GABRG3 Q99928 2/20 0.57
GABRQ Q9UN88 2/20 0.57
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
CCKBR P32239 10/20 0.42

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
SCHEMBL3589100 1.00 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL7818438 0.98 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9039929 0.85 GABRP (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9040366 0.82 TP53 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10331866 0.76 CA12 (0.46) KDM4EALDH1A1HPGDCCKBRCCKAR
SCHEMBL10332105 0.76 CA12 (0.46) KDM4EALDH1A1HPGDCCKBRCCKAR
Hydrochloric Acid SCHEMBL7819286 0.75 GABRP (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6302389 0.73 CCKBR (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2923672 0.73 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1835654 0.73 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276496-B2 Cyclic malonamides as inhibitors of Aβ protein protection BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US claimed
US-20100041639-A1 CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQIBB PHARMA COMAPNY (US) 2010-02-18 US disclosed
US-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQIBB PHARMA COMPANY (US) 2010-01-14 US disclosed
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-10-22 US disclosed
US-7528249-B2 Cyclic malonamides as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-05-05 US disclosed
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-06 US disclosed
US-7276496-B2 Cyclic malonamides as inhibitors of Aβ protein protection BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US disclosed
US-20060135762-A1 Cyclic malonamides as inhibitors of Abeta protein protection BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-06-22 US disclosed
US-7053081-B2 Cyclic malonamides as inhibitors of A-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-30 US disclosed
US-20050009807-A1 Cyclic malonamides as inhibitors of A-Beta protein production OLSON RICHARD E (US) 2005-01-13 US disclosed
US-6759404-B2 INHIBITING GAMMA-SECRETASE ACTIVITY; TREATING DISEASES ASSOCIATED WITH BETA-AMYLOID PRODUCTION, SUCH AS ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US disclosed
US-20020103184-A1 Cyclic malonamides as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-01 US 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 (7 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-20060135762-A1 Cyclic malonamides as inhibitors of Abeta protein protection APP, BACE1, APBA1 GABRA1 2066/4885GABRG2 2574/4885GABRB3 1677/4885
US-20020103184-A1 Cyclic malonamides as inhibitors of a beta protein production APP, BACE1, APH1A GABRA1 2995/4885GABRG2 3638/4885GABRB3 2957/4885
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 GABRA1 2159/4885GABRG2 2713/4885GABRB3 1917/4885
US-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION APP, BACE1, APBA1 GABRA1 2159/4885GABRG2 2713/4885GABRB3 1917/4885
US-20100041639-A1 CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A GABRA1 2118/4885GABRG2 2664/4885GABRB3 1770/4885
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION APP, BACE1, APH1A GABRA1 1464/4885GABRG2 1700/4885GABRB3 1691/4885
US-20050009807-A1 Cyclic malonamides as inhibitors of A-Beta protein production APP, APBA1, APH1A GABRA1 2246/4885GABRG2 3113/4885GABRB3 2040/4885

“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.