SCHEMBL3869090

SCHEMBL3869090

O=C(O)N1CCC(O)(C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.38
TRPA1 O75762 13/20 0.35
RORC P51449 1/20 0.33
CNR2 P34972 2/20 0.32
SPR P35270 1/20 0.31
HSD11B1 P28845 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4228827 0.88 CNR2 (0.38) VNN1TRPA1RORCCNR2
SCHEMBL27896663 0.84 RORC (0.41) VNN1TRPA1RORCCNR2SPR
SCHEMBL16888554 0.81 CYP1A2 (0.41) VNN1KDM4EALDH1A1HPGDTSHR
SCHEMBL16876660 0.81 VNN1 (0.37) VNN1TRPA1RORCCNR2SPR
SCHEMBL18702091 0.78 CYP3A4 (0.40) VNN1TRPA1ALDH1A1HTT
SCHEMBL22468376 0.78 CNR2 (0.30) CNR2
SCHEMBL19717769 0.77 DGAT1 (0.32)
SCHEMBL16887627 0.76 PDK2 (0.41) VNN1TRPA1ALDH1A1
SCHEMBL20348530 0.76 PDK2 (0.41) VNN1TRPA1RORCALDH1A1GAA
SCHEMBL18711632 0.75 CYP3A4 (0.39) VNN1SPRKDM4EALDH1A1HPGD

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 US claimed
US-7572794-B2 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide BAYER SCHERING PHARMA AG (DE) 2009-08-11 US claimed
CN-101056871-A Novel anthranilamide pyridinureas as vegf receptor kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2007-10-17 CN claimed
EP-1807415-A2 NOVEL ANTHRANILAMIDE PYRIDINUREAS AS VEGF RECEPTOR KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-18 EP claimed
US-20060264425-A1 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-23 US claimed
EP-1657241-A1 Novel anthranilamide pyridinureas as VEGF receptor kinase inhibitors Schering Aktiengesellschaft (DE) 2006-05-17 EP claimed
WO-2006048248-A2 NOVEL ANTHRANILAMIDE PYRIDINUREAS AS VEGF RECEPTOR KINASE IMHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
EP-4240742-A1 DICYCLOPROPYLMETHYL DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2023-09-13 EP disclosed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US disclosed
WO-2022096412-A1 DICYCLOPROPYLMETHYL DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2022-05-12 WO disclosed
EP-1657241-A1 Novel anthranilamide pyridinureas as VEGF receptor kinase inhibitors Schering Aktiengesellschaft (DE) 2006-05-17 EP disclosed
WO-2006048248-A2 NOVEL ANTHRANILAMIDE PYRIDINUREAS AS VEGF RECEPTOR KINASE IMHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 WO disclosed
EP-1456200-A1 LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2004-09-15 EP disclosed
US-20040132710-A1 Lactams as tachkinin antagonists PFIZER INC. 2004-07-08 US disclosed
WO-2003051868-A1 LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 2003-06-26 WO 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-20040132710-A1 Lactams as tachkinin antagonists PROKR1, TACR2, TACR1 VNN1 1645/4885TRPA1 1431/4885RORC 1922/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 VNN1 3668/4885TRPA1 1005/4885RORC 328/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 VNN1 3437/4885TRPA1 895/4885RORC 684/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 VNN1 3668/4885TRPA1 1005/4885RORC 328/4885
US-20060264425-A1 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide KDR, FLT4, FLT1 VNN1 2137/4885TRPA1 1360/4885RORC 2836/4885

“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.