SCHEMBL20866529

SCHEMBL20866529

CC(C)(C)CCC(=O)N1CCn2ncnc2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
NOTUM Q6P988 4/20 0.45
OPRM1 P35372 2/20 0.40
MYT1 Q01538 3/20 0.37
OPRL1 P41146 1/20 0.37
CDK1 P06493 1/20 0.33
WEE1 P30291 1/20 0.33
ALDH1A1 P00352 3/20 0.32
JAK1 P23458 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CCR5 P51681 1/20 0.30
POLB P06746 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL9944479 0.86 DPP4 (0.49) DPP4NOTUMOPRM1MYT1OPRL1
SCHEMBL19154061 0.86 DPP4 (0.51) DPP4NOTUMOPRM1MYT1OPRL1
SCHEMBL12821118 0.81 DPP4 (0.52) DPP4NOTUMOPRM1MYT1OPRL1
SCHEMBL19111017 0.81 DPP4 (0.50) DPP4NOTUMOPRM1MYT1OPRL1
SCHEMBL19058893 0.79 DPP4 (0.52) DPP4NOTUMOPRM1MYT1OPRL1
SCHEMBL15490060 0.78 DPP4 (0.58) DPP4NOTUMALDH1A1KMT2APOLB
SCHEMBL14970437 0.76 DPP4 (0.46) DPP4NOTUMOPRM1MYT1OPRL1
SCHEMBL19722714 0.73 DPP4 (0.46) DPP4NOTUMOPRM1MYT1OPRL1
SCHEMBL9944468 0.73 SLC2A1 (0.35) DPP4NOTUM
SCHEMBL16219027 0.73 DPP4 (0.49) DPP4NOTUMOPRM1MYT1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190100497-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-04 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-20190100497-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 DPP4 116/4885NOTUM 3631/4885OPRM1 7/4885

“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.