SCHEMBL4302568

SCHEMBL4302568

CC(C)(C)OC(=O)N1CC2CCCC2C1C#N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 3/20 0.38
HSD17B10 Q99714 1/20 0.35
NR1H2 P55055 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
PREP P48147 1/20 0.34
NR1H3 Q13133 1/20 0.33
AR P10275 1/20 0.33
DPP8 Q6V1X1 1/20 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
SCHEMBL4311573 0.97 DPP4 (0.40) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL4298430 0.92 MEN1 (0.39) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL4307330 0.84 DPP4 (0.44) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL30685043 0.84 DPP4 (0.44) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL20602619 0.81 AR (0.38) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL4298656 0.81 AR (0.35) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL6016909 0.81 DPP4 (0.42) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL6016908 0.80 DPP4 (0.38) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL15247679 0.80 PREP (0.38) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL2328258 0.80 HSD17B10 (0.42) HSD17B10NR1H2CHRM2CHRM1CHRM3

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-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-12 US disclosed
EP-2014648-A1 PROCESS FOR PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDUCT SALT THEREOF Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP 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-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF C9, NPPA, ADH1C DPP4 3867/4885MEN1 895/4885ALDH1A1 372/4885

“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.