SCHEMBL2004558

SCHEMBL2004558

Cc1ccccc1-c1ccc(C=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
METAP2 P50579 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 6/20 0.38
CLK4 Q9HAZ1 5/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL18573155 0.81 IDO1 (0.41) IDO1METAP2KDM4EALDH1A1TSHR
SCHEMBL913181 0.79 NPC1 (0.49) IDO1ALDH1A1NPC1RAB9ADRD2
SCHEMBL6018826 0.79 CYP11B1 (0.47) IDO1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL2717969 0.77 CYP11B1 (0.48) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL1356310 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL8227859 0.76 CCR1 (0.60) IDO1METAP2KDM4EALDH1A1TSHR
SCHEMBL5963839 0.76 KMO (0.43) METAP2KDM4EALDH1A1TSHRCYP1A2
SCHEMBL3424160 0.75 IDO1 (0.55) IDO1METAP2KDM4EALDH1A1TSHR
SCHEMBL31607177 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL31607172 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA

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 32 patents — showing the first 20. 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-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
US-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
CN-101495502-A N-terminally modified GLP-1 receptor modulators BRISTOL MYERS SQUIBB CO (US) 2009-07-29 CN 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-7534763-B2 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 US disclosed
EP-2021354-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-02-11 EP disclosed
WO-2007139589-A1 SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007140284-A2 N-TERMINALLY MODIFIED 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-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US disclosed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO 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 (4 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 IDO1 2280/4885METAP2 489/4885KDM4E 2276/4885
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP IDO1 1926/4885METAP2 605/4885KDM4E 2660/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR IDO1 2798/4885METAP2 2316/4885KDM4E 3411/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR IDO1 2798/4885METAP2 2316/4885KDM4E 3411/4885

“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.