SCHEMBL19684749

SCHEMBL19684749

CCCCOc1cccc2c1CN(C(=O)OC(C)(C)C)C[C@@H](C)O2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NAMPT P43490 1/20 0.39
HTR6 P50406 3/20 0.38
BCHE P06276 2/20 0.38
PDE4B Q07343 2/20 0.38
GPR119 Q8TDV5 5/20 0.36
EPHX2 P34913 2/20 0.35
CNR2 P34972 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL19667585 0.86 GPR119 (0.42) NAMPTHTR6BCHEGPR119
SCHEMBL19679356 0.82 NAMPT (0.41) NAMPTGPR119
SCHEMBL19667612 0.82 NAMPT (0.41) NAMPTGPR119
SCHEMBL23735237 0.82 NAMPT (0.41) NAMPTGPR119
SCHEMBL19684748 0.80 PRKCA (0.36) ALDH1A1HPGDPDE4BCNR2
SCHEMBL19684900 0.79 KCNH2 (0.40)
SCHEMBL19684899 0.70 PRKCA (0.38) CNR2
SCHEMBL19684931 0.69 CSF1R (0.39) ALDH1A1HPGDPDE4BGPR119PDE4A
SCHEMBL5450422 0.69 ABHD6 (0.56) NAMPTHTR6BCHE
SCHEMBL7901250 0.69 HTR6 (0.45) ALDH1A1HTR6BCHEGPR119

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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP ALDH1A1 2669/4885HPGD 1619/4885NAMPT 143/4885

“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.