SCHEMBL21169562

SCHEMBL21169562

CC(C)(C)OC(=O)C1CC[C@H](N)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
BTK Q06187 1/20 0.36
MAPK1 P28482 1/20 0.33
JAK1 P23458 3/20 0.33
JAK2 O60674 2/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.31
NR1H2 P55055 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL17679765 1.00 HRH3 (0.40) HRH3CHRM2CHRM1CHRM3BTK
SCHEMBL15938511 0.89 BTK (0.44) HRH3CHRM2CHRM1CHRM3BTK
SCHEMBL15614036 0.89 BTK (0.44) HRH3CHRM2CHRM1CHRM3BTK
SCHEMBL29247675 0.89 BTK (0.44) HRH3CHRM2CHRM1CHRM3BTK
SCHEMBL6436697 0.88 HRH3 (0.45) HRH3CHRM2CHRM1CHRM3BTK
SCHEMBL583322 0.88 HRH3 (0.45) HRH3CHRM2CHRM1CHRM3BTK
SCHEMBL15975247 0.88 HRH3 (0.45) HRH3CHRM2CHRM1CHRM3BTK
Hydrochloric Acid SCHEMBL9469827 0.86 HRH3 (0.44) HRH3CHRM2CHRM1CHRM3BTK
Hydrochloric Acid SCHEMBL9469820 0.86 HRH3 (0.44) HRH3CHRM2CHRM1CHRM3BTK
Hydrochloric Acid SCHEMBL29381986 0.86 HRH3 (0.44) HRH3CHRM2CHRM1CHRM3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218217-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives as PI3Kdelta inhibitors NOVARTIS AG (CH) 2019-07-18 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 (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-20190218217-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives as PI3Kdelta inhibitors PIK3CA, PIK3CD, PIK3CB HRH3 1881/4885CHRM2 3743/4885CHRM1 3585/4885

“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.