SCHEMBL6796754

SCHEMBL6796754

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
MC5R P33032 2/20 0.43
MC1R Q01726 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
FCER2 P06734 2/20 0.42
PIN1 Q13526 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ADRB2 P07550 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
SCHEMBL6802810 0.90 HTR2A (0.46) HTR2AHTR2CHTR2BMMEACE
SCHEMBL6803100 0.87 SIGMAR1 (0.46) HTR2AHTR2CHTR2BMMEACE
SCHEMBL6798509 0.86 EPHX1 (0.47) HTR2AHTR2CHTR2BMMEACE
SCHEMBL3790429 0.83 SIGMAR1 (0.50) SIGMAR1
Hydrochloric Acid SCHEMBL3049777 0.81 SIGMAR1 (0.49) SIGMAR1
SCHEMBL6802210 0.80 AKR1C3 (0.42) MMEACECPA1ACE2CYP1A2
SCHEMBL6802005 0.78 KDM4E (0.42) MMEACECPA1ACE2CYP1A2
SCHEMBL6802063 0.77 HTR2A (0.56) HTR2AHTR2CHTR2BMC5RMC1R
SCHEMBL6800270 0.77 HTR2A (0.51) HTR2AHTR2CHTR2BMC5RMC1R
SCHEMBL6804161 0.77 HTR2A (0.51) HTR2AHTR2CHTR2BMC5RMC1R

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 8 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
CN-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 CN disclosed
CN-1197450-A Esters and amides as phospholipase A2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 CN disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO 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 HTR2A 1260/4885HTR2C 2386/4885HTR2B 1097/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B HTR2A 1445/4885HTR2C 2647/4885HTR2B 1206/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B HTR2A 1373/4885HTR2C 2454/4885HTR2B 1172/4885

“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.