SCHEMBL2214451

SCHEMBL2214451

COC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)C(O)c1cnccc1NC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.42
DYRK1A Q13627 1/20 0.41
NAMPT P43490 3/20 0.40
MMP13 P45452 1/20 0.40
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39
AEBP2 Q6ZN18 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
IDO1 P14902 3/20 0.39
ALDH1A1 P00352 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL2359872 0.90 TSHR (0.34) DYRK1ANAMPTMMP13
SCHEMBL2213566 0.82 GPR119 (0.45) GPR119MMP13EEDRBBP4SUZ12
SCHEMBL2212500 0.82 STS (0.41) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL2211720 0.82 GPR119 (0.43) GPR119MMP13EEDRBBP4SUZ12
SCHEMBL2213653 0.82 DPP4 (0.46) GPR119MMP13EEDRBBP4SUZ12
SCHEMBL4223745 0.80 EED (0.46) GPR119MMP13EEDRBBP4SUZ12
SCHEMBL2211375 0.80 GPR119 (0.40) GPR119MMP13EEDRBBP4SUZ12
SCHEMBL13987066 0.80 EED (0.39) GPR119MMP13EEDRBBP4SUZ12
SCHEMBL13030969 0.79 GPR119 (0.47) GPR119MMP13EEDRBBP4SUZ12
SCHEMBL2211015 0.79 GPR119 (0.47) GPR119MMP13EEDRBBP4SUZ12

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013213-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
EP-2013213-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2008-11-20 US disclosed
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2008-11-20 US disclosed
US-7384930-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7384930-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7384930-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
WO-2007130860-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007130927-A2 CONDENSED TRICYCLIC COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US disclosed
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-05-04 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 (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-20060229447-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL GPR119 346/4885DYRK1A 3677/4885NAMPT 800/4885
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL GPR119 346/4885DYRK1A 3677/4885NAMPT 800/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL GPR119 346/4885DYRK1A 3677/4885NAMPT 800/4885
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists CALCR, BDKRB2, CALCRL GPR119 346/4885DYRK1A 3677/4885NAMPT 800/4885

“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.