SCHEMBL3939416

SCHEMBL3939416

CC(C)(O)COc1ccc(CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.49
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PTGS1 P23219 2/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
CA2 P00918 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
SRD5A2 P31213 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARD Q03181 1/20 0.44
LTB4R Q15722 2/20 0.44
LTB4R2 Q9NPC1 2/20 0.44
AKR1B1 P15121 1/20 0.44
TBXAS1 P24557 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL5949918 0.81 NQO1 (0.43) SMN1; SMN2TSHR
SCHEMBL964774 0.81 RXRA (0.50) PLA2G4BCA2CAMK2ASRD5A2RXRA
SCHEMBL12492047 0.79 NR4A2 (0.55) PLA2G4BPOLBCA2RXRARXRB
SCHEMBL20767121 0.78 PPARA (0.49) RXRARXRBSMN1; SMN2TSHR
SCHEMBL13498433 0.78 RXRA (0.46) KDM4ERXRARXRBSMN1; SMN2ALDH1A1
SCHEMBL503308 0.78 PLA2G4B (0.58) PLA2G4BPOLBCA2CAMK2ARXRA
SCHEMBL11683055 0.77 PLA2G4B (0.61) PLA2G4BKDM4EPTGS1CA2CAMK2A
SCHEMBL482856 0.77 PPARA (0.51) PLA2G4BKDM4EPOLBPTGS1AKR1C3
Hydrochloric Acid SCHEMBL2528810 0.77 PLA2G4B (0.56) PLA2G4BKDM4EPOLBRXRARXRB
SCHEMBL11155906 0.76 CA2 (0.54) PLA2G4BKDM4EPOLBPTGS1AKR1C3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101619057-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC 2010-01-06 CN disclosed
CN-100509804-C N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2009-07-08 CN disclosed
US-7538222-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-7476682-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
WO-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed
US-7253186-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2007-08-07 US disclosed
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-09-14 US disclosed
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-05-04 US disclosed
CN-1675201-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2005-09-28 CN disclosed
EP-1562937-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS Acadia Pharmaceuticals Inc. (US) 2005-08-17 EP disclosed
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004000808-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS INC. (US) 2003-12-31 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 (5 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-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B PLA2G4B 2545/4885KDM4E 3354/4885POLB 2313/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B PLA2G4B 2451/4885KDM4E 3137/4885POLB 2265/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A PLA2G4B 1069/4885KDM4E 729/4885POLB 4145/4885
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B PLA2G4B 2451/4885KDM4E 3137/4885POLB 2265/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B PLA2G4B 2451/4885KDM4E 3137/4885POLB 2265/4885

“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.