SCHEMBL13045290

SCHEMBL13045290

O=C(O)CC1(O)CC2CCCC(C1)N2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
CYP2C19 P33261 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
SCHEMBL3716884 0.66 ESR2 (0.31)
SCHEMBL322137 0.65
SCHEMBL2941358 0.65 CYP2C19 (0.52) CYP1A2ALDH1A1HSD11B1CYP2C19
SCHEMBL4477191 0.64
SCHEMBL4488779 0.64
SCHEMBL3958971 0.64 ALDH1A1 (0.44) KDM4EALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL3019549 0.64
Carbamic Acid SCHEMBL5440201 0.63 ALDH1A1 (0.42) KDM4EALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL304486 0.63 CYP2C19 (0.56) CYP1A2ALDH1A1HSD11B1CYP2C19
SCHEMBL1555451 0.63 CYP2C19 (0.56) CYP1A2ALDH1A1HSD11B1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 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 (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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 CYP1A2 1555/4885KDM4E 1818/4885ALDH1A1 634/4885

“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.