SCHEMBL3487036

SCHEMBL3487036

CN1C(=O)C(N)N=C(c2cccc(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.70
GABRD O14764 1/20 0.70
GABRA1 P14867 1/20 0.70
GABRB1 P18505 1/20 0.70
GABRG2 P18507 1/20 0.70
GABRB3 P28472 1/20 0.70
GABRA5 P31644 1/20 0.70
GABRA3 P34903 1/20 0.70
GABRA2 P47869 1/20 0.70
GABRB2 P47870 1/20 0.70
GABRA4 P48169 1/20 0.70
GABRE P78334 1/20 0.70
GABRA6 Q16445 1/20 0.70
GABRG1 Q8N1C3 1/20 0.70
GABRG3 Q99928 1/20 0.70
GABRQ Q9UN88 1/20 0.70
CCKBR P32239 13/20 0.57
CCKAR P32238 4/20 0.53
NOTCH1 P46531 1/20 0.50
NOTCH3 Q9UM47 1/20 0.50

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
Bromide SCHEMBL3486697 0.99 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4115829 0.87 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3289463 0.87 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3287888 0.87 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
Bromide SCHEMBL6797578 0.86 GABRP (0.73) GABRPGABRDGABRA1GABRB1GABRG2
Bromide SCHEMBL6797581 0.86 GABRP (0.73) GABRPGABRDGABRA1GABRB1GABRG2
Bromide SCHEMBL6797572 0.85 GABRP (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3287928 0.85 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2923672 0.83 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1835654 0.83 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-18 US disclosed
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-04 US disclosed
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-25 US disclosed
US-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-01-14 US disclosed
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-07-02 US disclosed
US-7498324-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-03 US disclosed
US-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-11 US disclosed
US-7390802-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-06-24 US disclosed
US-7276495-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US disclosed
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-26 US disclosed
US-20060211679-A1 Substituted lactams as inhibitors of Abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-21 US disclosed
US-20050234039-A1 Prevent forming deposits of amyloid protein on nervous systems; Alzheimer's disease; Down syndrome HAN QI 2005-10-20 US disclosed
US-6900199-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-31 US disclosed
US-20040138201-A1 Substituted lactams as inhibitors of Abeta protein production HAN QI (US) 2004-07-15 US disclosed
US-6632812-B2 Alzheimer's disease; Down syndrom DUPONT PHARMACEUTICALS COMPANY 2003-10-14 US disclosed
US-20020025955-A1 Substituted lactams as inhibitors of A beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 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 (11 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-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BACE1, APP, APH1A GABRP 198/4885GABRD 459/4885GABRA1 920/4885
US-20020025955-A1 Substituted lactams as inhibitors of A beta protein production BACE1, APP, APH1A GABRP 293/4885GABRD 878/4885GABRA1 1209/4885
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GABRP 198/4885GABRD 459/4885GABRA1 920/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GABRP 198/4885GABRD 459/4885GABRA1 920/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GABRP 180/4885GABRD 505/4885GABRA1 913/4885
US-20040138201-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A GABRP 274/4885GABRD 705/4885GABRA1 1224/4885
US-20060211679-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A GABRP 198/4885GABRD 459/4885GABRA1 920/4885
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A GABRP 198/4885GABRD 459/4885GABRA1 920/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 GABRP 274/4885GABRD 648/4885GABRA1 999/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GABRP 198/4885GABRD 459/4885GABRA1 920/4885
US-20050234039-A1 Prevent forming deposits of amyloid protein on nervous systems; Alzheimer's disease; Down syndrome APP, BACE1, PSEN1 GABRP 527/4885GABRD 1054/4885GABRA1 821/4885

“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.