SCHEMBL19684900

SCHEMBL19684900

CCCCOc1cccc2c1CN(C(=O)OC(C)(C)C)[C@@H](C)CO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
SCN9A Q15858 1/20 0.40
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
PRKCA P17252 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
MTNR1A P48039 1/20 0.34

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
SCHEMBL19667670 0.85 KLK7 (0.42)
SCHEMBL19684899 0.81 PRKCA (0.38) KCNH2SCN9APRKCAPPARGPPARD
SCHEMBL23735304 0.81 HSD11B1 (0.39)
SCHEMBL19679354 0.81 HSD11B1 (0.39)
SCHEMBL19667578 0.81 HSD11B1 (0.39)
SCHEMBL19684749 0.79 ALDH1A1 (0.41)
SCHEMBL19684909 0.72 KLK7 (0.41)
SCHEMBL20873486 0.72 FFAR1 (0.42)
SCHEMBL20873484 0.72 FFAR1 (0.42)
SCHEMBL19684748 0.71 PRKCA (0.36) PRKCA

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 KCNH2 4177/4885SCN9A 3637/4885DRD2 3868/4885

“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.