SCHEMBL13804342

SCHEMBL13804342

COC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)C(O)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.52
EED O75530 1/20 0.48
RBBP4 Q09028 1/20 0.48
SUZ12 Q15022 1/20 0.48
EZH2 Q15910 1/20 0.48
AEBP2 Q6ZN18 1/20 0.48
DPP4 P27487 1/20 0.46
MMP13 P45452 2/20 0.44
MMP1 P03956 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13030969 0.87 GPR119 (0.47) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL13221264 0.85 GPR119 (0.45) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL106237 0.84 ALDH1A1 (0.46) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL31602756 0.83 GPR119 (0.56) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL13804237 0.83 MMP13 (0.52) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL13804201 0.82 DPP4 (0.50) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL29151392 0.81 ALDH1A1 (0.43) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL2211015 0.81 GPR119 (0.47) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL2213653 0.81 DPP4 (0.46) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL14388974 0.79 EED (0.48) GPR119EEDRBBP4SUZ12EZH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2008-11-20 US disclosed
US-7384931-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 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 (2 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-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL GPR119 346/4885EED 4569/4885RBBP4 4237/4885
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists CALCR, BDKRB2, CALCRL GPR119 346/4885EED 4569/4885RBBP4 4237/4885

“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.