SCHEMBL5618761

SCHEMBL5618761

C=CC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)NC1CN(c2ccccc2)c2ccccc2N(CCC2CCCCC2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTCH1 P46531 4/20 0.50
▸ RBPJ Q06330 4/20 0.50
▸ APP P05067 10/20 0.43
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ MME P08473 2/20 0.37
▸ ACE P12821 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ XIAP P98170 2/20 0.37
▸ CCKBR P32239 1/20 0.37

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
SCHEMBL4471418 0.99 NOTCH1 (0.51) NOTCH1RBPJAPPPSEN1PSEN2
SCHEMBL4490627 0.98 NOTCH1 (0.51) NOTCH1RBPJAPPPSEN1PSEN2
SCHEMBL4484629 0.96 NOTCH1 (0.52) NOTCH1RBPJAPPPSEN1PSEN2
SCHEMBL4499559 0.93 NOTCH1 (0.48) NOTCH1RBPJAPPPSEN1PSEN2
SCHEMBL4482544 0.92 NOTCH1 (0.48) NOTCH1RBPJAPPPSEN1PSEN2
SCHEMBL4485621 0.91 APP (0.52) NOTCH1RBPJAPPPSEN1PSEN2
SCHEMBL4485465 0.90 NOTCH1 (0.48) NOTCH1RBPJAPPPSEN1PSEN2
SCHEMBL5619533 0.90 APP (0.52) NOTCH1RBPJAPPPSEN1PSEN2
SCHEMBL4494215 0.90 APP (0.47) NOTCH1RBPJAPPPSEN1PSEN2
SCHEMBL4488024 0.89 APP (0.48) NOTCH1RBPJAPPPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304056-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 — — US claimed
US-20060264417-A1 Succinoylamino lactams as inhibitors of a-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-11-23 — — US claimed
US-20050245501-A1 Succinoylamino lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-03 — — US claimed
US-20030134841-A1 Succinoylamino lactams as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-07-17 — — US claimed
US-7304055-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 — — US disclosed
US-7304056-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 — — US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 — — US disclosed
US-20060264417-A1 Succinoylamino lactams as inhibitors of a-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-11-23 — — US disclosed
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-11-16 — — US disclosed
US-7101870-B2 Succinoylamino lactams as inhibitors of A-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-05 — — US disclosed
US-7037912-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2006-05-02 — — US disclosed
US-20050261318-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 — — US disclosed
US-6962913-B2 Benzo-1,4-diazepin-2-ones as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-08 — — US disclosed
US-20050245501-A1 Succinoylamino lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-03 — — US disclosed
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease THERAVANCE BIOPHARMA R&D IP, LLC 2004-11-25 — — US disclosed
US-6794381-B1 BETA -PEPTIDE INHIBITOR PREVENTS NEUROLOGICAL DEPOSITS OF AMYLOID PRECURSOR PROTEIN; ALZHEIMER'S DISEASE AND DOWN'S SYNDROME TREATMENT BRISTOL-MYERS SQUIBB COMPANY 2004-09-21 — — US disclosed
US-6750241-B2 Protein kinase inhibitors THERAVANCE, INC. 2004-06-15 — — US disclosed
US-20030134841-A1 Succinoylamino lactams as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-07-17 — — US disclosed
US-20020177600-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-11-28 — — US disclosed
US-20020002169-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-01-03 — — 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 (8 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-20020177600-A1 Protein kinase inhibitors MAP3K20, MAP3K9, MAP3K6 NOTCH1 3178/4885RBPJ 2377/4885APP 3834/4885
US-20060264417-A1 Succinoylamino lactams as inhibitors of a-beta protein production BACE1, APH1A, APP NOTCH1 94/4885RBPJ 1902/4885APP 3/4885
US-20050245501-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP NOTCH1 94/4885RBPJ 1902/4885APP 3/4885
US-20020002169-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 NOTCH1 3682/4885RBPJ 2822/4885APP 3687/4885
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP NOTCH1 94/4885RBPJ 1902/4885APP 3/4885
US-20050261318-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 NOTCH1 3682/4885RBPJ 2822/4885APP 3687/4885
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease UACA, PRKDC, CDK2 NOTCH1 2508/4885RBPJ 1730/4885APP 2167/4885
US-20030134841-A1 Succinoylamino lactams as inhibitors of A-beta protein production APH1A, BACE1, APP NOTCH1 125/4885RBPJ 1850/4885APP 3/4885

“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.

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