SCHEMBL6802210

SCHEMBL6802210

CCCN[C@H](CC(N)=O)Cc1ccc2cc(CC)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
SIGMAR1 Q99720 5/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MME P08473 2/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
BDKRB2 P30411 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
RIOK2 Q9BVS4 1/20 0.34

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
SCHEMBL6802005 0.92 KDM4E (0.42) AKR1C3AKR1C2CYP1A2CYP2A6SIGMAR1
SCHEMBL6802810 0.91 HTR2A (0.46) CYP1A2CYP2A6SIGMAR1MMEACE
SCHEMBL6803100 0.84 SIGMAR1 (0.46) SIGMAR1MMEACECPA1ACE2
SCHEMBL6798509 0.83 EPHX1 (0.47) SIGMAR1PLGPRSS1MMEACE
SCHEMBL27347413 0.81 LOXL2 (0.38) SIGMAR1
SCHEMBL6796677 0.81 HPGD (0.40) SIGMAR1
SCHEMBL6796754 0.80 HTR2A (0.48) CYP1A2CYP2A6SIGMAR1MMEACE
SCHEMBL6803279 0.78 SIGMAR1 (0.45) SIGMAR1
SCHEMBL8553953 0.78 SIGMAR1 (0.45) SIGMAR1
Hydrochloric Acid SCHEMBL3059803 0.78 SIGMAR1 (0.51) SIGMAR1

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-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 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 (3 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B AKR1C3 813/4885AKR1C2 802/4885CYP1A2 518/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B AKR1C3 795/4885AKR1C2 777/4885CYP1A2 588/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B AKR1C3 733/4885AKR1C2 728/4885CYP1A2 496/4885

“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.