SCHEMBL19684711

SCHEMBL19684711

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
GPR119 Q8TDV5 5/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
EPHA2 P29317 1/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
RIPK1 Q13546 2/20 0.34
NR1H2 P55055 1/20 0.34
SCN9A Q15858 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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) PIK3CDSMN1; SMN2USP2GPR119PRMT5
SCHEMBL19684696 0.88 RIPK1 (0.39) PIK3CDSMN1; SMN2USP2GPR119PRMT5
SCHEMBL19684713 0.86 RIPK1 (0.39) PIK3CDSMN1; SMN2USP2GPR119PRMT5
SCHEMBL19684747 0.86 PDE4D (0.37) PIK3CDSMN1; SMN2USP2GPR119PRMT5
SCHEMBL19684712 0.86 SMN1; SMN2 (0.35) PIK3CDSMN1; SMN2USP2GPR119PRMT5
SCHEMBL19667437 0.83 TLR9 (0.41) SMN1; SMN2USP30
SCHEMBL19679347 0.81 USP2 (0.43) PIK3CDSMN1; SMN2USP2GPR119PRMT5
SCHEMBL19684746 0.79 CNR2 (0.34) SMN1; SMN2GPR119PDE4DPDE4APDE4B
SCHEMBL19684705 0.75 MKNK1 (0.41) GPR119ESR2NR1H2
SCHEMBL3276386 0.73 ESR2 (0.51) SMN1; SMN2USP2ESR2LMNARIPK1

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 PIK3CD 818/4885SMN1; SMN2 1375/4885USP2 3416/4885

“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.