SCHEMBL19667459

SCHEMBL19667459

CC1CN(C(=O)O)C(C(C)(C)C)c2c(OCc3ccccc3)ccc(F)c21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.44
S1PR5 Q9H228 2/20 0.43
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 1/20 0.37
PTGER1 P34995 3/20 0.37
S1PR1 P21453 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
BRD4 O60885 1/20 0.35
APP P05067 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
SCHEMBL19667637 0.85 S1PR5 (0.38) KDM1AS1PR5PTGER1BRD4
SCHEMBL19667424 0.83 ERN1 (0.37) KDM1AS1PR5NPC1PDK1PDK2
SCHEMBL19667318 0.83 S1PR5 (0.37) KDM1AS1PR5SLC6A4PTGER1PDK1
SCHEMBL29118102 0.76 KDM1A (0.46) KDM1AS1PR5HTR1ASLC6A2SLC6A4
SCHEMBL29118103 0.76 KDM1A (0.46) KDM1AS1PR5HTR1ASLC6A2SLC6A4
SCHEMBL19667181 0.73 KDM1A (0.41) KDM1AS1PR5HTR1ASLC6A2SLC6A4
SCHEMBL19667460 0.73 TLR9 (0.42) KDM1AS1PR5
SCHEMBL30207845 0.73 TLR9 (0.42) KDM1AS1PR5
SCHEMBL30207816 0.73 KDM1A (0.41) KDM1AS1PR5HTR1ASLC6A2SLC6A4
SCHEMBL28998882 0.72 HTT (0.40) NPC1APP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
US-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2020-07-14 US disclosed
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-04-18 US disclosed
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-03-05 US disclosed
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 (4 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-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP KDM1A 3216/4885S1PR5 3942/4885HTR1A 4648/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP KDM1A 3216/4885S1PR5 3942/4885HTR1A 4648/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP KDM1A 3216/4885S1PR5 3942/4885HTR1A 4648/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP KDM1A 3216/4885S1PR5 3942/4885HTR1A 4648/4885

“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.