SCHEMBL428908

SCHEMBL428908

CN1CC[C@@H](C(=O)OC(C)(C)C)C1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
RECQL P46063 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSK P43235 3/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4B Q07343 1/20 0.31
PREP P48147 1/20 0.31

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
SCHEMBL584545 1.00 HRH3 (0.37) HRH3HPGDCHRM2CHRM1CHRM3
SCHEMBL27786683 0.90 HRH3 (0.35) HRH3HPGDCHRM2CHRM1CHRM3
SCHEMBL5822210 0.80 HSD17B10 (0.39) HPGDCHRM2CHRM1CHRM3RECQL
SCHEMBL9013386 0.79 HRH3 (0.35) HRH3HPGDCHRM2CHRM1CHRM3
SCHEMBL27816157 0.74 HRH3 (0.41) HRH3HPGDCHRM2CHRM1CHRM3
SCHEMBL21171596 0.72 HRH3 (0.37) HRH3RECQLCTSKUSP2SMN1; SMN2
SCHEMBL19889936 0.72 HRH3 (0.37) HRH3RECQLCTSKUSP2SMN1; SMN2
SCHEMBL21483550 0.71 GABRR1 (0.42) HRH3CHRM2CHRM1CHRM3USP2
SCHEMBL17234602 0.71 GABRR1 (0.42) HRH3CHRM2CHRM1CHRM3USP2
SCHEMBL18541279 0.71 GABRR1 (0.42) HRH3CHRM2CHRM1CHRM3USP2

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-20120022100-A1 ORGANIC COMPOUNDS MAIBAUM JUERGEN KLAUS (DE) 2012-01-26 US disclosed
US-20090076062-A1 Organic Compounds MAIBAUM JUERGEN KLAUS 2009-03-19 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 (2 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-20120022100-A1 ORGANIC COMPOUNDS AGTR1, AGTR2, REN HRH3 533/4885HPGD 285/4885CHRM2 1104/4885
US-20090076062-A1 Organic Compounds AGTR1, AGTR2, REN HRH3 533/4885HPGD 285/4885CHRM2 1104/4885

“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.