SCHEMBL6020157

SCHEMBL6020157

CC(N)C(CC(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.52
GABBR1 Q9UBS5 1/20 0.52
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
FFAR1 O14842 2/20 0.45
MAPT P10636 1/20 0.42
ALOX5 P09917 1/20 0.42
EPHX1 P07099 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
SCHEMBL27925046 0.85 CYP2D6 (0.50) CYP2C19MEN1CYP2D6CYP2C9KMT2A
SCHEMBL25152385 0.84 TAAR1 (0.55) GABBR2GABBR1CYP2C19MEN1CYP2D6
SCHEMBL7390277 0.84 GABBR2 (0.55) GABBR2GABBR1CYP2C19MEN1CYP2D6
SCHEMBL25152144 0.84 TAAR1 (0.55) GABBR2GABBR1CYP2C19MEN1CYP2D6
SCHEMBL1234229 0.84 TAAR1 (0.55) GABBR2GABBR1CYP2C19MEN1CYP2D6
SCHEMBL14478252 0.84 CYP2C9 (0.71) GABBR2GABBR1CYP2C19MEN1CYP2D6
SCHEMBL7422192 0.84 CYP2C9 (0.71) GABBR2GABBR1CYP2C19MEN1CYP2D6
SCHEMBL12473262 0.83 GABBR2 (0.57) GABBR2GABBR1CYP2C19MEN1CYP2D6
SCHEMBL6449839 0.82 GABBR2 (0.48) GABBR2GABBR1CYP2C19MEN1CYP2D6
SCHEMBL11027158 0.81 GABBR2 (0.49) GABBR2GABBR1CYP2C19MEN1CYP2D6

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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
WO-2005044308-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES GILEAD SCIENCES, INC. (US) 2005-05-19 WO disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 GABBR2 457/4885GABBR1 311/4885CYP2C19 999/4885

“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.