SCHEMBL6803100

SCHEMBL6803100

CCCCN[C@H](CC(N)=O)Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
EPHX1 P07099 1/20 0.43
BDKRB2 P30411 2/20 0.42
MC5R P33032 3/20 0.42
MC4R P32245 2/20 0.42
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
REN P00797 2/20 0.41
CTSD P07339 2/20 0.41

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
SCHEMBL6798509 0.96 EPHX1 (0.47) SIGMAR1HDAC3HDAC1HDAC2HTR2A
SCHEMBL6802810 0.93 HTR2A (0.46) SIGMAR1HDAC3HDAC1HDAC2HTR2A
SCHEMBL6802005 0.91 KDM4E (0.42) SIGMAR1HDAC3HDAC1HDAC2MME
SCHEMBL6796754 0.87 HTR2A (0.48) SIGMAR1HTR2AHTR2CHTR2BMME
SCHEMBL6802210 0.84 AKR1C3 (0.42) SIGMAR1MMEACECPA1ACE2
SCHEMBL6801926 0.81 SIGMAR1 (0.48) SIGMAR1
SCHEMBL6800799 0.79 SIGMAR1 (0.49) SIGMAR1
SCHEMBL8553953 0.76 SIGMAR1 (0.45) SIGMAR1
SCHEMBL6803279 0.76 SIGMAR1 (0.45) SIGMAR1
Hydrochloric Acid SCHEMBL3059803 0.75 SIGMAR1 (0.51) SIGMAR1EPHX1

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 4 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
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP 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 SIGMAR1 2194/4885HDAC3 541/4885HDAC1 417/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B SIGMAR1 1749/4885HDAC3 524/4885HDAC1 316/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B SIGMAR1 1951/4885HDAC3 547/4885HDAC1 429/4885

“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.