SCHEMBL5007698

SCHEMBL5007698

C[C@@](N)(Cc1cn([C@@H]2CCOc3cc(CN4CCC(F)CC4)ccc32)nn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.34
DRD4 P21917 4/20 0.34
KCNH2 Q12809 2/20 0.34
DRD2 P14416 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
GRM2 Q14416 1/20 0.33
BDKRB1 P46663 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MCHR1 Q99705 2/20 0.32
LTA4H P09960 1/20 0.32
ARG1 P05089 2/20 0.32
ARG2 P78540 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 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
SCHEMBL5007695 0.84 BDKRB1 (0.34) SIGMAR1KCNH2UBE2MDCUN1D1GRM2
SCHEMBL5007692 0.82 BDKRB1 (0.37) SIGMAR1DRD4KCNH2DRD2UBE2M
SCHEMBL5106378 0.81 BDKRB1 (0.36) KCNH2BDKRB1PRMT5WDR77MCHR1
SCHEMBL5097165 0.81 GRM2 (0.34) SIGMAR1DRD4KCNH2DRD2GRM2
SCHEMBL5145168 0.81 BDKRB1 (0.36) KCNH2BDKRB1PRMT5WDR77MCHR1
SCHEMBL5097157 0.79 MCHR1 (0.34) SIGMAR1DRD4KCNH2DRD2BDKRB1
SCHEMBL5145162 0.79 GRM2 (0.36) KCNH2UBE2MDCUN1D1GRM2BDKRB1
SCHEMBL14138919 0.79 PRMT5 (0.35) SIGMAR1DRD4BDKRB1PRMT5WDR77
SCHEMBL5001647 0.76 BDKRB1 (0.43) BDKRB1
SCHEMBL5001688 0.76 BDKRB1 (0.43) BDKRB1

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 SIGMAR1 309/4885DRD4 2617/4885KCNH2 201/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB SIGMAR1 1342/4885DRD4 3035/4885KCNH2 262/4885

“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.