SCHEMBL2980219

SCHEMBL2980219

COC(=O)C(C1CCN(C(=O)O)CC1)C(O)c1cccc(F)c1NC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GPR119 Q8TDV5 5/20 0.35
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
FDFT1 P37268 1/20 0.31
CHRM3 P20309 1/20 0.31
NPY2R P49146 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.31

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 0.90 GPR119 (0.47) ALDH1A1GPR119DPP4
SCHEMBL2214131 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2212211 0.79 STS (0.46) ALDH1A1GPR119
SCHEMBL13221264 0.79 GPR119 (0.45) ALDH1A1GPR119DPP4
SCHEMBL2359872 0.77 TSHR (0.34) SMN1; SMN2
SCHEMBL13804342 0.75 GPR119 (0.52) ALDH1A1GPR119DPP4MEN1KMT2A
SCHEMBL2211015 0.75 GPR119 (0.47) ALDH1A1GPR119DPP4SMN1; SMN2
SCHEMBL5591928 0.74 CHRM3 (0.35) ALDH1A1GPR119CHRM3MEN1KMT2A
SCHEMBL2213653 0.73 DPP4 (0.46) ALDH1A1GPR119DPP4
SCHEMBL2213566 0.72 GPR119 (0.45) ALDH1A1GPR119DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 US disclosed
US-7772244-B2 Therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
EP-1730137-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE Bristol-Myers Squibb Company (US) 2006-12-13 EP disclosed
WO-2005095383-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 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-20070049577-A1 CGRP antagonists CALCRL, CALCR, CALCA ALDH1A1 2552/4885GPR119 381/4885DPP4 3777/4885
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine CALCRL, CALCR, CALCA ALDH1A1 3082/4885GPR119 487/4885DPP4 4033/4885

“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.