SCHEMBL3163753

SCHEMBL3163753

CC(C)(C)OC(=O)C1CCC2(CC1)CN2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
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

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
SCHEMBL22581157 0.90 HRH3 (0.36) HRH3MAPK1MEN1KMT2A
SCHEMBL22581158 0.90 HRH3 (0.36) HRH3MAPK1MEN1KMT2A
SCHEMBL31237006 0.86 HRH3 (0.39) HRH3MAPK1MEN1ALDH1A1TSHR
SCHEMBL23945869 0.81 HRH3 (0.40) HRH3MAPK1MEN1ALDH1A1TSHR
SCHEMBL12002951 0.79 HRH3 (0.44) HRH3MAPK1MEN1ALDH1A1TSHR
SCHEMBL30015131 0.79 HRH3 (0.34) HRH3MAPK1HPGDBTK
SCHEMBL1295721 0.78 HRH3 (0.51) HRH3MAPK1MEN1ALDH1A1TSHR
SCHEMBL186721 0.78 HRH3 (0.51) HRH3MAPK1MEN1ALDH1A1TSHR
SCHEMBL28492122 0.78 HRH3 (0.51) HRH3MAPK1MEN1ALDH1A1TSHR
SCHEMBL7675303 0.78 HRH3 (0.43) HRH3MAPK1MEN1ALDH1A1TSHR

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-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 US disclosed
WO-2009011653-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATES AND THEIR US IN THE SYNTHESIS OF SPIROPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-01-22 WO 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-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 HRH3 129/4885MAPK1 809/4885MEN1 3301/4885

“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.