SCHEMBL3948384

SCHEMBL3948384

O=C(Cl)Cc1ccc(OCCF)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
APP P05067 4/20 0.49
TSPO P30536 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PDE4A P27815 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FFAR1 O14842 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 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
SCHEMBL2628191 0.84 PLA2G4B (0.55) ALDH1A1APPFFAR1LMNAL3MBTL1
SCHEMBL2628195 0.84 PLA2G4B (0.55) ALDH1A1APPFFAR1LMNAL3MBTL1
SCHEMBL5101651 0.82 KDM4E (0.45) ALDH1A1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL2530981 0.82 KDM4E (0.66) ALDH1A1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL2525327 0.82 LMNA (0.58) ALDH1A1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL2628204 0.82 ALDH1A1 (0.58) ALDH1A1APPTSPOKDM4ECYP1A2
SCHEMBL2628192 0.82 ALDH1A1 (0.58) ALDH1A1APPTSPOKDM4ECYP1A2
SCHEMBL10076458 0.81 KDM4E (0.47) ALDH1A1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL14111320 0.79 ALOX5 (0.42) ALDH1A1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9162853 0.78 PLA2G4B (0.65) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 515/4885APP 1001/4885TSPO 874/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B ALDH1A1 518/4885APP 1015/4885TSPO 924/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A ALDH1A1 3427/4885APP 3634/4885TSPO 1092/4885
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B ALDH1A1 518/4885APP 1015/4885TSPO 924/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B ALDH1A1 518/4885APP 1015/4885TSPO 924/4885

“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.