SCHEMBL3744007

SCHEMBL3744007

CCOC(=O)N1C2CCCC1CC(CC(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 18/20 0.46
CHRM4 P08173 3/20 0.41
CHRM5 P08912 2/20 0.41
KCNH2 Q12809 1/20 0.37
CHRM2 P08172 1/20 0.36

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
SCHEMBL8091185 0.86 CHRM1 (0.36) CHRM1CHRM2
SCHEMBL2918243 0.82 CHRM2 (0.56) CHRM1CHRM2
SCHEMBL29822414 0.81 CHRM1 (0.49) CHRM1CHRM4CHRM5
SCHEMBL9217979 0.81 CHRM1 (0.45) CHRM1CHRM4CHRM5KCNH2CHRM2
SCHEMBL13078592 0.81 CHRM1 (0.41) CHRM1CHRM4CHRM5CHRM2
SCHEMBL5634834 0.80 CHRM1 (0.53) CHRM1CHRM4CHRM5CHRM2
SCHEMBL12131804 0.80 CHRM1 (0.53) CHRM1CHRM4CHRM5CHRM2
SCHEMBL17354962 0.79 CHRM1 (0.51) CHRM1CHRM4CHRM5
SCHEMBL10063523 0.79 CHRM1 (0.51) CHRM1CHRM4CHRM5
SCHEMBL12086312 0.78 CHRM1 (0.48) CHRM1CHRM4CHRM5KCNH2CHRM2

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 8 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 claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US claimed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
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
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 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 CHRM1 4371/4885CHRM4 3286/4885CHRM5 4390/4885

“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.