SCHEMBL4997337

SCHEMBL4997337

COC(=O)C(Cc1cn([C@@H]2CCOc3cc(CN4CCC(F)CC4)ccc32)nn1)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
MCHR1 Q99705 5/20 0.34
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4997334 1.00 BDKRB1 (0.34) BDKRB1PRMT5WDR77MCHR1PIK3CD
SCHEMBL5134077 1.00 BDKRB1 (0.34) BDKRB1PRMT5WDR77MCHR1PIK3CD
SCHEMBL14029677 0.90 MDM4 (0.38) BDKRB1PRMT5WDR77MCHR1
SCHEMBL5106378 0.84 BDKRB1 (0.36) BDKRB1PRMT5WDR77MCHR1MEN1
SCHEMBL5145168 0.84 BDKRB1 (0.36) BDKRB1PRMT5WDR77MCHR1MEN1
SCHEMBL14138919 0.83 PRMT5 (0.35) BDKRB1PRMT5WDR77MCHR1ALDH1A1
SCHEMBL5097165 0.79 GRM2 (0.34) BDKRB1PRMT5WDR77MCHR1ALDH1A1
SCHEMBL5007692 0.79 BDKRB1 (0.37) BDKRB1PRMT5WDR77MCHR1
SCHEMBL5001845 0.77 BDKRB1 (0.41) BDKRB1MCHR1PIK3CGALDH1A1MEN1
SCHEMBL5001844 0.77 BDKRB1 (0.41) BDKRB1MCHR1PIK3CGALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 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 (2 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-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 BDKRB1 1/4885PRMT5 4471/4885WDR77 2430/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885PRMT5 4022/4885WDR77 2541/4885

“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.