SCHEMBL12568352

SCHEMBL12568352

CN[C@@H](Cc1ccc(-c2ccccc2OC(C)C)nc1)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PDCD1 Q15116 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SLC9A1 P19634 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CENPE Q02224 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ S1PR1 P21453 1/20 0.34

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
SCHEMBL12568314 0.89 ECE1 (0.52) ECE1CYP11B1CYP11B2
SCHEMBL12568323 0.85 RORC (0.52) ECE1PDCD1CD274ALDH1A1RORC
SCHEMBL12568315 0.83 USP1 (0.40) ECE1PDCD1CD274
SCHEMBL12568307 0.82 PDCD1 (0.43) ECE1PDCD1CD274ALDH1A1CYP11B1
SCHEMBL15219914 0.82 PDCD1 (0.43) ECE1PDCD1CD274ALDH1A1CYP11B1
SCHEMBL12568313 0.81 CYP11B1 (0.49) ECE1PDCD1CD274ALDH1A1CYP11B1
SCHEMBL12568312 0.81 CD274 (0.40) ECE1PDCD1CD274CYP11B1CYP11B2
SCHEMBL12568326 0.81 DHODH (0.41) ECE1PDCD1CD274CTSA
SCHEMBL12568339 0.80 FFAR4 (0.42) ECE1KDM4EALDH1A1FFAR4
SCHEMBL12568309 0.80 BAZ2B (0.50) ECE1CYP11B1CYP11B2

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-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 — — US disclosed
US-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 — — US disclosed
US-7534763-B2 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 — — US disclosed
US-7534763-B2 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 — — US disclosed
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-10-02 — — US disclosed
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-10-02 — — US disclosed
US-7417028-B2 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-7417028-B2 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 — — US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 — — 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 (5 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-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP ECE1 570/4885KDM4E 2276/4885LMNA 2525/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP ECE1 639/4885KDM4E 2835/4885LMNA 3871/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR ECE1 1793/4885KDM4E 3411/4885LMNA 4572/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP ECE1 607/4885KDM4E 2366/4885LMNA 2440/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR ECE1 1793/4885KDM4E 3411/4885LMNA 4572/4885

“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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