SCHEMBL2648433

SCHEMBL2648433

COC(=O)C1(CBr)CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.36
CYP3A4 P08684 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 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
SCHEMBL28084348 0.86 NPSR1 (0.38) CYP2C19CYP3A4NPSR1TSHRMAPT
SCHEMBL4811675 0.84 MAPT (0.41) CYP2C19CYP3A4NPSR1TSHRMAPT
SCHEMBL1417675 0.84 CYP4F2 (0.37) CYP2C19CYP3A4NPSR1TSHRMAPT
SCHEMBL21244563 0.83 CYP2C19 (0.41) CYP2C19CYP3A4TSHRMAPTATM
SCHEMBL29328600 0.83 CYP4F2 (0.38) CYP2C19CYP3A4NPSR1TSHRMAPT
SCHEMBL9079831 0.82 CYP2C19 (0.34) CYP2C19CYP3A4NPSR1TSHRMAPT
SCHEMBL29328591 0.82 CYP4F2 (0.40) CYP2C19CYP3A4TSHRCYP4F2CYP4A11
SCHEMBL7626939 0.81 CYP2C19 (0.36) CYP2C19CYP3A4NPSR1TSHRMAPT
SCHEMBL8468255 0.79 CYP2C19 (0.34) CYP2C19CYP3A4NPSR1TSHRMAPT
SCHEMBL21244980 0.79 CYP2C19 (0.38) CYP2C19CYP3A4TSHRMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US disclosed
EP-1538903-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 WO disclosed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 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 (1 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-20060035958-A1 Method of treating diabetes and related conditions GLP1R, GPR119, GCGR CYP2C19 1072/4885CYP3A4 992/4885NPSR1 347/4885

“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.