SCHEMBL19684696

SCHEMBL19684696

CCCCOc1cc(F)cc2c1CN(C(=O)OC(C)(C)C)CCO2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.39
GPR119 Q8TDV5 4/20 0.37
SCN9A Q15858 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
PDE4D Q08499 2/20 0.35
PIK3CD O00329 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ESR2 Q92731 1/20 0.34
DPP4 P27487 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
SCHEMBL19684931 0.89 CSF1R (0.39) RIPK1GPR119USP2SMN1; SMN2PDE4D
SCHEMBL19684713 0.88 RIPK1 (0.39) RIPK1GPR119SCN9AUSP2SMN1; SMN2
SCHEMBL19684711 0.88 PIK3CD (0.36) RIPK1GPR119SCN9AUSP2SMN1; SMN2
SCHEMBL19684712 0.86 SMN1; SMN2 (0.35) RIPK1GPR119SCN9AUSP2SMN1; SMN2
SCHEMBL19684747 0.86 PDE4D (0.37) GPR119USP2SMN1; SMN2PDE4DPIK3CD
SCHEMBL19684697 0.83 CCNT1 (0.44) RIPK1SMN1; SMN2PTGDR2
SCHEMBL19667153 0.81 USP2 (0.43) RIPK1GPR119USP2SMN1; SMN2MKNK1
SCHEMBL19679351 0.81 USP2 (0.43) RIPK1GPR119USP2SMN1; SMN2MKNK1
SCHEMBL19684987 0.76 ESR2 (0.42) GPR119SCN9AMKNK1PDE4DPTGDR2
SCHEMBL19684706 0.75 ADORA1 (0.42) GPR119MKNK1PDE4DPDE4APDE4B

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 RIPK1 3885/4885GPR119 3953/4885SCN9A 3637/4885

“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.