SCHEMBL5001844

SCHEMBL5001844

COC(=O)C(Cc1cn([C@@H]2CCOc3cc(CN4CCC(F)CC4)ccc32)nn1)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.41
PIK3CG P48736 1/20 0.36
AIMP2 Q13155 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCHR1 Q99705 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL5001845 1.00 BDKRB1 (0.41) BDKRB1PIK3CGAIMP2MEN1KMT2A
SCHEMBL5001647 0.94 BDKRB1 (0.43) BDKRB1AIMP2MEN1KMT2A
SCHEMBL5001688 0.94 BDKRB1 (0.43) BDKRB1AIMP2MEN1KMT2A
SCHEMBL5002159 0.93 BDKRB1 (0.41) BDKRB1AIMP2MEN1KMT2ALMNA
SCHEMBL14138919 0.87 PRMT5 (0.35) BDKRB1MEN1KMT2AALDH1A1MCHR1
SCHEMBL5106378 0.84 BDKRB1 (0.36) BDKRB1MEN1KMT2AMCHR1
SCHEMBL5145168 0.84 BDKRB1 (0.36) BDKRB1MEN1KMT2AMCHR1
SCHEMBL5001659 0.83 BDKRB1 (0.44) BDKRB1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL5001661 0.83 BDKRB1 (0.44) BDKRB1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL14029683 0.83 BDKRB1 (0.44) BDKRB1LMNAALDH1A1SMN1; SMN2MAPT

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 1/4885PIK3CG 2864/4885AIMP2 4256/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885PIK3CG 3522/4885AIMP2 3546/4885

“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.