SCHEMBL5097157

SCHEMBL5097157

CNOC(=O)CCc1cn([C@@H]2CCOc3cc(CN4CCC(F)CC4)ccc32)nn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.34
DRD4 P21917 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
HDAC1 Q13547 1/20 0.33
DRD2 P14416 1/20 0.33
KCNH2 Q12809 1/20 0.33
BDKRB1 P46663 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL14138919 0.82 PRMT5 (0.35) MCHR1DRD4SIGMAR1BDKRB1PRMT5
SCHEMBL5007692 0.82 BDKRB1 (0.37) MCHR1DRD4SIGMAR1DRD2KCNH2
SCHEMBL5106378 0.81 BDKRB1 (0.36) MCHR1KCNH2BDKRB1PRMT5WDR77
SCHEMBL5145168 0.81 BDKRB1 (0.36) MCHR1KCNH2BDKRB1PRMT5WDR77
SCHEMBL5097165 0.80 GRM2 (0.34) MCHR1DRD4SIGMAR1DRD2KCNH2
SCHEMBL5007698 0.79 SIGMAR1 (0.34) MCHR1DRD4SIGMAR1DRD2KCNH2
SCHEMBL5145162 0.76 GRM2 (0.36) MCHR1KCNH2BDKRB1PRMT5WDR77
SCHEMBL5001647 0.75 BDKRB1 (0.43) BDKRB1
SCHEMBL5001688 0.75 BDKRB1 (0.43) BDKRB1
SCHEMBL5001845 0.75 BDKRB1 (0.41) MCHR1BDKRB1ALDH1A1

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 MCHR1 510/4885DRD4 2617/4885SIGMAR1 309/4885

“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.