SCHEMBL21847682

SCHEMBL21847682

CC(C)(C)OC(=O)N1Cc2ccc(CO)nc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR2 Q92731 1/20 0.36
NR1H2 P55055 2/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TNF P01375 1/20 0.33
CHRM4 P08173 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
KDM1A O60341 1/20 0.33
NAMPT P43490 1/20 0.33
MAPK1 P28482 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL21847689 0.86 PIK3CA (0.36) PIK3CAMTORMEN1KMT2AESR2
SCHEMBL21847688 0.83 PIK3CA (0.40) PIK3CAMTORMEN1KMT2AESR2
SCHEMBL21847679 0.82 ESR2 (0.40) PIK3CAMTORMEN1KMT2AESR2
SCHEMBL29226277 0.82 PIK3CA (0.39) PIK3CAMTORMEN1KMT2AESR2
SCHEMBL29226367 0.80 PIK3CA (0.38) PIK3CAMTORMEN1KMT2AESR2
SCHEMBL23554273 0.79 NR1H2 (0.41) PIK3CAMTORMEN1KMT2AESR2
SCHEMBL22169247 0.78 MEN1 (0.34) PIK3CAMTORMEN1KMT2AESR2
SCHEMBL21847643 0.75 MAPK1 (0.45) PIK3CAMTORNAMPTMAPK1DDB1
SCHEMBL20738525 0.74 ESR2 (0.45) PIK3CAMTORMEN1KMT2AESR2
SCHEMBL30918981 0.74 MPO (0.41) MEN1KMT2AESR2NR1H2CHRM4

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-10604519-B2 5,7-dihydro-pyrrolo-pyridine derivatives PFIZER INC. (US) 2020-03-31 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-10604519-B2 5,7-dihydro-pyrrolo-pyridine derivatives CHRM1, CHRM5, CHRM2 PIK3CA 1793/4885MTOR 2801/4885MEN1 3103/4885

“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.