SCHEMBL13434937

SCHEMBL13434937

CC(C)(C)C1C(=O)N(C(C)(C)C)c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PSEN1 P49768 7/20 0.35
PSEN2 P49810 7/20 0.35
APH1B Q8WW43 7/20 0.35
NCSTN Q92542 7/20 0.35
APH1A Q96BI3 7/20 0.35
PSENEN Q9NZ42 7/20 0.35
GAA P10253 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
TTR P02766 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL16376952 0.87 AADAT (0.36) GPR3ALDH1A1KDM4ELMNANPSR1
SCHEMBL3922127 0.73 GPR3 (0.46) GPR3ALDH1A1LMNAPOLBMEN1
SCHEMBL24703470 0.71 GPR3 (0.38) GPR3ALDH1A1KDM4ELMNANPSR1
SCHEMBL24119346 0.70 MEN1 (0.44) GPR3ALDH1A1KDM4ELMNANPSR1
SCHEMBL19545773 0.69 MAPT (0.35) ALDH1A1KDM4ELMNANPSR1GAA
SCHEMBL14516316 0.67 CES1 (0.57) ALDH1A1NPSR1GAATTRCES1
SCHEMBL4403720 0.67 GPR3 (0.44) GPR3ALDH1A1KDM4ELMNANPSR1
SCHEMBL18232752 0.67 NOTUM (0.30) GPR3
SCHEMBL28357769 0.67 AADAT (0.36) ALDH1A1KDM4ELMNAPSEN1PSEN2
SCHEMBL24119639 0.66 NOTUM (0.44) ALDH1A1KDM4ELMNANPSR1GAA

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 16 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-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQIBB PHARMA COMPANY (US) 2010-01-14 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-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-05 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-7456278-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-11-25 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-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-05-01 US disclosed
US-7354914-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-04-08 US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-7276495-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 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 (9 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 GPR3 4551/4885ALDH1A1 3896/4885KDM4E 4239/4885
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GPR3 4551/4885ALDH1A1 3896/4885KDM4E 4239/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GPR3 4551/4885ALDH1A1 3896/4885KDM4E 4239/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GPR3 4544/4885ALDH1A1 3909/4885KDM4E 3998/4885
US-20100009965-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ABETA PROTEIN PRODUCTION APP, BACE1, APBA1 GPR3 4408/4885ALDH1A1 4031/4885KDM4E 3355/4885
US-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BACE1, APP, APH1A GPR3 4396/4885ALDH1A1 3203/4885KDM4E 3594/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 GPR3 4515/4885ALDH1A1 3509/4885KDM4E 4231/4885
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION APH1A, APH1B, APP GPR3 4191/4885ALDH1A1 2423/4885KDM4E 2910/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GPR3 4551/4885ALDH1A1 3896/4885KDM4E 4239/4885

“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.