SCHEMBL19667507

SCHEMBL19667507

CC(C)(C)OC(=O)N1CCc2c(F)c(C(F)F)cc(OCc3ccccc3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.44
P2RX3 P56373 1/20 0.42

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
SCHEMBL19667497 0.88 PTGDR2 (0.48) PTGDR2P2RX3
SCHEMBL19667501 0.88 PTGDR2 (0.46) PTGDR2P2RX3
SCHEMBL19667403 0.87 PTGDR2 (0.51) PTGDR2
SCHEMBL19667217 0.87 PTGDR2 (0.46) PTGDR2P2RX3
SCHEMBL19679340 0.87 PTGDR2 (0.46) PTGDR2P2RX3
SCHEMBL19667110 0.86 PTGDR2 (0.50) PTGDR2P2RX3
SCHEMBL20910967 0.86 PTGDR2 (0.45) PTGDR2P2RX3
SCHEMBL20767978 0.85 PTGDR2 (0.44) PTGDR2P2RX3
SCHEMBL19667316 0.83 ESR2 (0.47) PTGDR2P2RX3
SCHEMBL30207988 0.83 ESR2 (0.47) PTGDR2P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242539-A1 Polymorphs of (1S,2S,3S,5R)-3-((6-(Difluoromethyl)-5-Fluoro-1,2,3,4-Tetrahydroisoquinolin-8-YL)OXY)-5-(4-Methyl-7H-Pyrrolo[2,3-D]Pyrimidin-7-YL)Cyclopentane-1,2-DIOL Mono-Hydrochloride PFIZER INC. (US) 2023-08-03 US disclosed
US-20230242539-A1 Polymorphs of (1S,2S,3S,5R)-3-((6-(Difluoromethyl)-5-Fluoro-1,2,3,4-Tetrahydroisoquinolin-8-YL)OXY)-5-(4-Methyl-7H-Pyrrolo[2,3-D]Pyrimidin-7-YL)Cyclopentane-1,2-DIOL Mono-Hydrochloride PFIZER INC. (US) 2023-08-03 US disclosed
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
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-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
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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 (5 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-20230242539-A1 Polymorphs of (1S,2S,3S,5R)-3-((6-(Difluoromethyl)-5-Fluoro-1,2,3,4-Tetrahydroisoquinolin-8-YL)OXY)-5-(4-Methyl-7H-Pyrrolo[2,3-D]Pyrimidin-7-YL)Cyclopentane-1,2-DIOL Mono-Hydrochloride PKD1, KIF5C, DPYD PTGDR2 406/4885P2RX3 1802/4885
US-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP PTGDR2 4262/4885P2RX3 3952/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PTGDR2 4262/4885P2RX3 3952/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PTGDR2 4262/4885P2RX3 3952/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP PTGDR2 4262/4885P2RX3 3952/4885

“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.