SCHEMBL4748069

SCHEMBL4748069

CC1CCCC1(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 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
SCHEMBL14950578 0.82 CHRM2 (0.34) HPGDBTKCHRM2CHRM1CHRM3
SCHEMBL18743086 0.79 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3
SCHEMBL15617943 0.79 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3
SCHEMBL11892811 0.79 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3
SCHEMBL3978516 0.74 MAPT (0.42) MAPK1ALDH1A1
SCHEMBL29827264 0.74 GAA (0.33) MAPK1HPGDBTKCHRM2CHRM1
SCHEMBL14086700 0.73 DGAT1 (0.34)
SCHEMBL2277283 0.72 FFAR3 (0.39) MAPK1
SCHEMBL2277288 0.72 FFAR3 (0.39) MAPK1
SCHEMBL2277287 0.72 FFAR3 (0.39) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 MAPK1 2614/4885HPGD 983/4885BTK 1624/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 MAPK1 2614/4885HPGD 983/4885BTK 1624/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 MAPK1 2614/4885HPGD 983/4885BTK 1624/4885

“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.