SCHEMBL15029451

SCHEMBL15029451

C[C@H](N)C(=O)N(CCN(C)C)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 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
SCHEMBL15029863 0.85 DPP4 (0.40) DPP4
SCHEMBL15045198 0.81 L3MBTL1 (0.44) DPP4
SCHEMBL15045199 0.81 DPP4 (0.38) DPP4
SCHEMBL21197527 0.80 ALOX5 (0.39) ADH1CADH1A
SCHEMBL4447432 0.79
SCHEMBL11122626 0.79
Hydrochloric Acid SCHEMBL21198740 0.78 ALOX5 (0.38) ADH1CADH1A
SCHEMBL10487588 0.77
Hydrochloric Acid SCHEMBL23040944 0.76 PYGL (0.36) DPP4
SCHEMBL5498956 0.75 FAAH (0.42) ADH1BADH1CADH1A

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
EP-2604601-A1 HETERO RING COMPOUND Astellas Pharma Inc. (JP) 2013-06-19 EP disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS DPP4 4111/4885ADH1B 4460/4885ADH1C 4043/4885

“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.