SCHEMBL4457536

SCHEMBL4457536

O=C1CCC(=O)N1Cc1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MGLL Q99685 2/20 0.40
FAAH O00519 1/20 0.40
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
CTRC Q99895 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.37

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
SCHEMBL290791 0.78 POLB (0.70) CA12CA1CA2CA9POLB
SCHEMBL4455461 0.77 GSK3A (0.69) POLBALDH1A1MGLLFAAHGSK3A
SCHEMBL28548456 0.77 CA12 (0.59) CA12CA1CA2CA9POLB
SCHEMBL41235 0.75 CA9 (0.53) CA12CA1CA2CA9POLB
SCHEMBL19002513 0.75 ALDH1A1 (0.66) CA12CA1CA2CA9POLB
SCHEMBL5767794 0.75 CA12 (0.58) CA12CA1CA2CA9POLB
SCHEMBL40711 0.75 KMT2A (0.59) CA12CA1CA2CA9POLB
SCHEMBL7217564 0.75 CA1 (0.62) CA12CA1CA2CA9POLB
SCHEMBL28555685 0.75 ALDH1A1 (0.56) CA12CA1CA2CA9POLB
Bicarbonate SCHEMBL25171118 0.73 POLB (0.64) CA12CA1CA2CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
CN-104507940-B Heterocyclic compounds 武田药品工业株式会社 2017-01-25 CN disclosed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 CA12 728/4885CA1 2855/4885CA2 1140/4885

“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.