SCHEMBL19667239

SCHEMBL19667239

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.40
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
GHSR Q92847 5/20 0.38
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CCNA1 P78396 1/20 0.37
TLR9 Q9NR96 3/20 0.37
TLR7 Q9NYK1 2/20 0.37
UCHL1 P09936 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
YAP1 P46937 1/20 0.35
P2RX3 P56373 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
SCHEMBL22279021 0.90 BUB1 (0.40) BUB1HTTGHSRTLR9TLR7
SCHEMBL24108990 0.87 BUB1 (0.39) BUB1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL24108989 0.87 BUB1 (0.39) BUB1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL30207906 0.82 TLR9 (0.38) GHSRCCNT1CCNA2CDK2CDK9
SCHEMBL19667164 0.82 TLR9 (0.38) GHSRCCNT1CCNA2CDK2CDK9
SCHEMBL19667217 0.81 PTGDR2 (0.46) TLR9TLR7PTGDR2P2RX3
SCHEMBL13602763 0.77 GPR119 (0.46) HTTLMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL19667443 0.76 GRM5 (0.42) BUB1TLR9TLR7YAP1ALDH1A1
SCHEMBL19607188 0.73 TLR9 (0.42) HTTL3MBTL1GHSRTLR9TLR7
SCHEMBL13602776 0.73 NPC1 (0.46) L3MBTL1GHSRCCNT1CCNA2CDK2

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
WO-2022013691-A1 POLYMORPH 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 PFIZER INC. (US) 2022-01-20 WO 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-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 BUB1 2463/4885HTT 274/4885LMNA 1320/4885
US-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP BUB1 1383/4885HTT 3800/4885LMNA 452/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP BUB1 1383/4885HTT 3800/4885LMNA 452/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP BUB1 1383/4885HTT 3800/4885LMNA 452/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP BUB1 1383/4885HTT 3800/4885LMNA 452/4885

“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.