SCHEMBL12568331

SCHEMBL12568331

CN[C@@H](Cc1ccc(-c2ccc(F)cc2)nc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ RET P07949 1/20 0.47
▸ MET P08581 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.47
▸ MAP4K2 Q12851 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ NTRK3 Q16288 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ NPC1 O15118 4/20 0.46

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
SCHEMBL8228375 0.88 BAZ2B (0.50) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL12568309 0.88 BAZ2B (0.50) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL12568317 0.87 ACACB (0.44) NPC1PTPN1RAB9ASMN1; SMN2CYP11B1
SCHEMBL12568321 0.86 PPARA (0.47) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL12568338 0.86 NPC1 (0.42) NPC1PTPN1RAB9ASMN1; SMN2CYP11B1
SCHEMBL12568350 0.85 RXFP1 (0.50) NPC1RXFP1RAB9ASMN1; SMN2CYP11B1
SCHEMBL12568330 0.84 ATR (0.44) NPC1RAB9ASMN1; SMN2TP53KCNH2
SCHEMBL12568324 0.83 CYP1A2 (0.43) ABL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12568341 0.83 GRM2 (0.47) ABL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12568342 0.82 WNT3A (0.38) ABL1CYP11B1CYP11B2WNT3A

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 15 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-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 AURKA 4877/4885ABL1 4799/4885NTRK1 289/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP AURKA 4783/4885ABL1 4675/4885NTRK1 1029/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR AURKA 4094/4885ABL1 4583/4885NTRK1 975/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP AURKA 4877/4885ABL1 4798/4885NTRK1 310/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR AURKA 4094/4885ABL1 4583/4885NTRK1 975/4885

“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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