SCHEMBL3869388

SCHEMBL3869388

NC(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 6/20 0.47
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL15531169 0.88 KMT2A (0.44) KMT2AALDH1A1POLBMAPK1HPGD
SCHEMBL13088273 0.80 KMT2A (0.56) KMT2AALDH1A1POLBMAPK1HPGD
SCHEMBL3047968 0.80 ALDH1A1 (0.53) KMT2AALDH1A1POLBMAPK1HPGD
SCHEMBL7097009 0.78 KMT2A (0.42) KMT2AALDH1A1POLBMAPK1HPGD
SCHEMBL24120196 0.74 KMT2A (0.50) KMT2AALDH1A1POLBMAPK1HPGD
SCHEMBL6929532 0.74 KMT2A (0.46) KMT2AALDH1A1POLBMAPK1HPGD
SCHEMBL1364716 0.74 KMT2A (0.46) KMT2AALDH1A1POLBMAPK1HPGD
SCHEMBL11772760 0.74 MAPK1 (0.68) KMT2AALDH1A1POLBMAPK1HPGD
SCHEMBL2081779 0.74 KMT2A (0.50) KMT2AALDH1A1POLBMAPK1HPGD
SCHEMBL8904582 0.74 KMT2A (0.51) KMT2AALDH1A1POLBMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 disclosed
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 disclosed
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 disclosed
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 disclosed
EP-1657241-A1 Novel anthranilamide pyridinureas as VEGF receptor kinase inhibitors Schering Aktiengesellschaft (DE) 2006-05-17 EP 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 (3 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 KMT2A 2269/4885ALDH1A1 1065/4885POLB 1346/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 KMT2A 3289/4885ALDH1A1 617/4885POLB 800/4885
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 KMT2A 362/4885ALDH1A1 619/4885POLB 3089/4885

“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.