SCHEMBL4301159

SCHEMBL4301159

CC(C)(C)OC(=O)N1CC2C(C1C#N)C2(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.33
NR1H2 P55055 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NR1H3 Q13133 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4304914 0.86 CTSK (0.37) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL4307673 0.86 CTSK (0.37) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL4301341 0.83 CTSK (0.35) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL4304666 0.80 CHRM2 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL10137647 0.78 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL14583034 0.78 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL13305792 0.77 HSD17B10 (0.36) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL30536042 0.77 HSD17B10 (0.36) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL4307305 0.76 NR1H2 (0.35) ALDH1A1NR1H2CHRM2CHRM1CHRM3
SCHEMBL30685043 0.72 DPP4 (0.44) CTSKMEN1ALDH1A1MAPTKMT2A

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 CTSK 3721/4885MEN1 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.