SCHEMBL12430309

SCHEMBL12430309

CC(C)C(=O)NCC(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
OR51E2 Q9H255 1/20 0.39
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TET2 Q6N021 3/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
TET3 O43151 1/20 0.34
GPR84 Q9NQS5 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR1 O14842 1/20 0.34
ERCC1 P07992 1/20 0.34

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
SCHEMBL10311696 0.78 CYP2D6 (0.39) CYP2D6CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL10072998 0.78 CYP2D6 (0.39) CYP2D6CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL10311725 0.78 CYP2D6 (0.39) CYP2D6CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL17680117 0.78 CYP2D6 (0.39) CYP2D6CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL13534167 0.78 CYP2D6 (0.39) CYP2D6CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL7082573 0.76 OR51E2 (0.42) CYP2D6CYP2C19OR51E2SMN1; SMN2TET2
SCHEMBL1769044 0.76 GFPT1 (0.49)
SCHEMBL1769047 0.76 GFPT1 (0.49)
SCHEMBL18125949 0.75 CYP2D6 (0.52) CYP2D6CYP2C19OR51E2TP53SMN1; SMN2
SCHEMBL3354440 0.75 CYP2D6 (0.59) CYP2D6CYP2C19CYP2C9KMT2ATP53

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-7977339-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-07-12 US disclosed
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-12-09 US disclosed
US-7795265-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 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-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GPR119 CYP2D6 2801/4885CYP2C19 1652/4885OR51E2 774/4885
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS CCKAR, CCKBR, GPR119 CYP2D6 2801/4885CYP2C19 1652/4885OR51E2 774/4885

“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.