SCHEMBL12568321

SCHEMBL12568321

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.47
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ KDM1A O60341 3/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KIFC1 Q9BW19 1/20 0.38
▸ CAPN1 P07384 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
SCHEMBL12568327 0.87 KIFC1 (0.49) CYP11B1CYP11B2KDM1AMAOBKIFC1
SCHEMBL12568331 0.86 AURKA (0.47) PPARACYP11B1CYP11B2NPC1RAB9A
SCHEMBL12568324 0.85 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2ADORA3TP53
SCHEMBL8228375 0.85 BAZ2B (0.50) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL12568309 0.85 BAZ2B (0.50) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL12568317 0.84 ACACB (0.44) CYP11B1CYP11B2HDAC1NPC1RAB9A
SCHEMBL12642101 0.83 L3MBTL1 (0.47) PPARAHDAC1MAOB
SCHEMBL12568338 0.83 NPC1 (0.42) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL12568350 0.82 RXFP1 (0.50) CYP11B1CYP11B2KDM1AHDAC1NPC1
SCHEMBL12568330 0.81 ATR (0.44) NPC1RAB9ASMN1; SMN2ITGB1ITGA4

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 17 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
WO-2007139589-A1 SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 — — WO 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 PPARA 347/4885CYP11B1 3426/4885CYP11B2 3592/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP PPARA 395/4885CYP11B1 2200/4885CYP11B2 2507/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR PPARA 761/4885CYP11B1 3739/4885CYP11B2 4191/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP PPARA 363/4885CYP11B1 3416/4885CYP11B2 3565/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR PPARA 761/4885CYP11B1 3739/4885CYP11B2 4191/4885

“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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