SCHEMBL13875779

SCHEMBL13875779

COC(=O)NC1CN(Cc2ccccc2)CCN(Cc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MCHR1 Q99705 1/20 0.45
▸ BCHE P06276 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 3/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ APP P05067 1/20 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
SCHEMBL13547350 0.88 SMN1; SMN2 (0.47) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL3616171 0.88 HDAC1 (0.50) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL15966510 0.85 HDAC1 (0.56) HDAC1HDAC8HDAC6SMN1; SMN2APP
SCHEMBL13547184 0.82 HDAC1 (0.46) HDAC1HDAC8HDAC6MCHR1BCHE
SCHEMBL8764157 0.81 KAT2B (0.46) BCHEACHESMN1; SMN2ALDH1A1LMNA
SCHEMBL949590 0.76 CTSK (0.43) BCHEACHESMN1; SMN2ALDH1A1LMNA
SCHEMBL949589 0.76 CTSK (0.43) BCHEACHESMN1; SMN2ALDH1A1LMNA
SCHEMBL18362813 0.74 DRD2 (0.60) MCHR1BCHEMAOBACHEALDH1A1
SCHEMBL6818563 0.74 KMT2A (0.56) HDAC1HDAC8HDAC6APPKMT2A
SCHEMBL7927436 0.74 KMT2A (0.56) HDAC1HDAC8HDAC6APPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 — — US disclosed
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 — — US disclosed
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 — — US disclosed
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 — — US disclosed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 — — US disclosed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 — — US disclosed
US-7342008-B2 Containing a benzodiazepine ring; 2-Cyclopentylmethyl-3(S)-hydroxyl-1-oxo-5-phenylpentyl)amino-1-methyl-5-(4-fluoro-phenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one; Alzheimer's disease and Down's Syndrome; prevent the formation of neurological deposits of amyloid protein BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-11 — — US disclosed
US-7342008-B2 Containing a benzodiazepine ring; 2-Cyclopentylmethyl-3(S)-hydroxyl-1-oxo-5-phenylpentyl)amino-1-methyl-5-(4-fluoro-phenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one; Alzheimer's disease and Down's Syndrome; prevent the formation of neurological deposits of amyloid protein BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-11 — — US disclosed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 — — US disclosed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 — — 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 (3 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-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production APP, BACE1, APH1A HDAC1 2764/4885HDAC8 4207/4885HDAC6 2018/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A HDAC1 2894/4885HDAC8 4176/4885HDAC6 1878/4885
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A HDAC1 2894/4885HDAC8 4176/4885HDAC6 1878/4885

“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.

Send feedback