SCHEMBL12568348

SCHEMBL12568348

CN[C@@H](Cc1cnc(-c2ccccc2C)nc1)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.39
▸ CYP3A4 P08684 5/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CLK4 Q9HAZ1 4/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ ITGB1 P05556 2/20 0.37
▸ ITGA4 P13612 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ USP1 O94782 1/20 0.36
▸ WDR48 Q8TAF3 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL15219914 0.85 PDCD1 (0.43) CYP1A2CYP3A4HSD17B10ALDH1A1CLK4
SCHEMBL12568307 0.85 PDCD1 (0.43) CYP1A2CYP3A4HSD17B10ALDH1A1CLK4
SCHEMBL8227873 0.80 MME (0.51) ITGB1ITGA4L3MBTL1TPH1
SCHEMBL15219916 0.80 MME (0.51) ITGB1ITGA4L3MBTL1TPH1
SCHEMBL12568326 0.73 DHODH (0.41) DHODHITGB1HPGDSCTSA
SCHEMBL12568312 0.73 CD274 (0.40) TPH1HPGDSSMN1; SMN2
SCHEMBL12568313 0.73 CYP11B1 (0.49) ALDH1A1DHODHITGB1ITGA4MEN1
SCHEMBL8175870 0.73 TAAR1 (0.52) CYP1A2ALDH1A1L3MBTL1PKM
SCHEMBL8318346 0.73 TAAR1 (0.52) CYP1A2ALDH1A1L3MBTL1PKM
SCHEMBL2628426 0.73 TAAR1 (0.52) CYP1A2ALDH1A1L3MBTL1PKM

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 CYP1A2 4172/4885CYP3A4 3892/4885HSD17B10 3998/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP CYP1A2 3175/4885CYP3A4 2741/4885HSD17B10 3141/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR CYP1A2 4204/4885CYP3A4 3213/4885HSD17B10 3172/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP CYP1A2 4191/4885CYP3A4 3909/4885HSD17B10 3992/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR CYP1A2 4204/4885CYP3A4 3213/4885HSD17B10 3172/4885

“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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