SCHEMBL5097165

SCHEMBL5097165

CC(Cc1cn(C2CCOc3cc(CN4CCC(F)CC4)ccc32)nn1)C(=O)ON

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
MCHR1 Q99705 4/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
BDKRB1 P46663 1/20 0.34
DRD4 P21917 4/20 0.33
SIGMAR1 Q99720 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KCNH2 Q12809 2/20 0.33
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5106378 0.88 BDKRB1 (0.36) MCHR1PRMT5WDR77BDKRB1KCNH2
SCHEMBL5145168 0.88 BDKRB1 (0.36) MCHR1PRMT5WDR77BDKRB1KCNH2
SCHEMBL14138919 0.85 PRMT5 (0.35) MCHR1PRMT5WDR77BDKRB1DRD4
SCHEMBL5007692 0.83 BDKRB1 (0.37) MCHR1PRMT5WDR77BDKRB1DRD4
SCHEMBL5007698 0.81 SIGMAR1 (0.34) GRM2MCHR1PRMT5WDR77BDKRB1
SCHEMBL5097157 0.80 MCHR1 (0.34) MCHR1PRMT5WDR77BDKRB1DRD4
SCHEMBL4997334 0.79 BDKRB1 (0.34) MCHR1PRMT5WDR77BDKRB1ALDH1A1
SCHEMBL5134077 0.79 BDKRB1 (0.34) MCHR1PRMT5WDR77BDKRB1ALDH1A1
SCHEMBL5001845 0.79 BDKRB1 (0.41) MCHR1BDKRB1ALDH1A1MEN1KMT2A
SCHEMBL4997337 0.79 BDKRB1 (0.34) MCHR1PRMT5WDR77BDKRB1ALDH1A1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 GRM2 409/4885MCHR1 510/4885PRMT5 4471/4885

“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.