SCHEMBL4114010

SCHEMBL4114010

CC(C)(C)C([NH])C(=O)N1CCCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
DPP4 P27487 5/20 0.40
DPP7 Q9UHL4 5/20 0.38
GRM3 Q14832 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
FAP Q12884 1/20 0.34
MAPT P10636 1/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33

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
SCHEMBL4115948 0.90 DPP4 (0.49) DPP4DPP7DPP8DPP9
SCHEMBL4123185 0.83 DPP4 (0.35) DPP4DPP8DPP9
SCHEMBL4114016 0.81 DPP4 (0.50) CA12CA1CA2CA9DPP4
SCHEMBL4121713 0.79 ALDH1A1 (0.38) DPP4DPP7SMN1; SMN2DPP8DPP9
SCHEMBL4125720 0.79 DPP7 (0.41) DPP4DPP7SMN1; SMN2MAPT
SCHEMBL4546662 0.78 DPP4 (0.49) CA12CA1CA2CA9DPP4
SCHEMBL22991199 0.78 DPP4 (0.49) CA12CA1CA2CA9DPP4
SCHEMBL22991197 0.78 DPP4 (0.49) CA12CA1CA2CA9DPP4
SCHEMBL4128646 0.77 DPP7 (0.43) CA2DPP4DPP7SMN1; SMN2MAPT
SCHEMBL4125713 0.77 DPP4 (0.49) DPP4DPP7DPP8DPP9

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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed

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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CA12 2221/4885CA1 2038/4885CA2 1096/4885

“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.