SCHEMBL4667455

SCHEMBL4667455

COC(=O)COCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.67
DRD3 P35462 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
HRH2 P25021 2/20 0.67
HTR2A P28223 2/20 0.67
HTR2B P41595 2/20 0.67
KCNH2 Q12809 2/20 0.67
USP2 O75604 2/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A4 P31645 1/20 0.67
SLC6A3 Q01959 1/20 0.67
TEK Q02763 1/20 0.67
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
DRD2 P14416 2/20 0.57
ABCB11 O95342 1/20 0.57

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
SCHEMBL5182111 0.93 DRD3 (0.80) HRH1DRD3TDP1HRH2HTR2A
SCHEMBL2058840 0.87 HRH1 (0.86) HRH1DRD3TDP1HRH2HTR2A
SCHEMBL2058530 0.85 HRH1 (0.82) HRH1DRD3TDP1HRH2HTR2A
SCHEMBL4665859 0.85 HRH1 (0.70) HRH1DRD3TDP1HRH2HTR2A
SCHEMBL11039741 0.84 HRH1 (0.60) HRH1DRD3TDP1HRH2HTR2A
Hydrochloric Acid SCHEMBL10934197 0.84 HRH1 (0.82) HRH1DRD3TDP1HRH2HTR2A
SCHEMBL24022700 0.83 HRH1 (0.79) HRH1DRD3TDP1HRH2HTR2A
SCHEMBL19390112 0.83 HRH1 (0.79) HRH1DRD3TDP1HRH2HTR2A
SCHEMBL10931329 0.82 ALDH1A1 (0.69) HRH1DRD3TDP1HRH2HTR2A
Hydrochloric Acid SCHEMBL10931199 0.82 HRH1 (0.76) HRH1DRD3TDP1HRH2HTR2A

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-20080206331-A1 TABLET COMPRISING EFLETIRIZINE AND PSEUDOEPHEDRINE UCB, S.A. (BE) 2008-08-28 US disclosed
EP-1569651-B1 TABLET COMPRISING EFLETIRIZINE AND PSEUDOEPHEDRINE UCB FARCHIM SA (CH) 2008-07-30 EP disclosed
US-20080177071-A1 Process for the preparation of 2- (2- (4- (bis (4-flourophenyl) methyl) -pipe razin-1-yl) ethoxy acetic acid derivatives or corresponding salt forms thereof and intermediates therefor DIOUF OUSMANE 2008-07-24 US disclosed
US-20060122194-A1 Tablet comprising efletirizine and pseudoephedrine UCB FARCHIM S.A. (CH) 2006-06-08 US disclosed
US-20040254375-A1 Process for the preparation of 2-(2-(4-(bis(4-fluorophenyl)methyl)-piperazin-1-yl)ethoxy)acetic acid derivatives or corresponding salt forms thereof and intermediates therefor UCB SA (BE) 2004-12-16 US disclosed
EP-1414460-A1 PROCESS FOR THE PREPARATION OF 2-(2-(4-(BIS(4-FLUOROPHENYL)METHYL)-PIPERAZIN-1-YL)ETHOXY)ACETIC ACID DERIVATIVES OR CORRESPONDING SALT FORMS THEREOF AND INTERMEDIATES THEREFOR UCB, S.A. (BE) 2004-05-06 EP disclosed
EP-1157016-B1 A PROCESS FOR THE PREPARATION OF 2- 2- 4-(DIPHENYLMETHYL)-1-PIPERAZINYL]ETHOXY ACETIC ACID COMPOUNDS OR SALTS THEREOF GEA FARMACEUTISK FABRIK AS (DK) 2003-10-08 EP disclosed
WO-2003009849-A1 PROCESS FOR THE PREPARATION OF 2-(2-(4-(BIS(4-FLUOROPHENYL)METHYL)-PIPERAZIN-1-YL)ETHOXY)ACETIC ACID DERIVATIVES OR CORRESPONDING SALT FORMS THEREOF AND INTERMEDIATES THEREFOR UCB, S.A. (BE) 2003-02-06 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 (4 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-20080206331-A1 TABLET COMPRISING EFLETIRIZINE AND PSEUDOEPHEDRINE HRH4, HRH1, HRH2 HRH1 2/4885DRD3 828/4885TDP1 2771/4885
US-20080177071-A1 Process for the preparation of 2- (2- (4- (bis (4-flourophenyl) methyl) -pipe razin-1-yl) ethoxy acetic acid derivatives or corresponding salt forms thereof and intermediates therefor FAR1, FFAR2, FFAR1 HRH1 314/4885DRD3 1882/4885TDP1 3745/4885
US-20040254375-A1 Process for the preparation of 2-(2-(4-(bis(4-fluorophenyl)methyl)-piperazin-1-yl)ethoxy)acetic acid derivatives or corresponding salt forms thereof and intermediates therefor CYP4F11, CYP4Z1, NR5A1 HRH1 51/4885DRD3 2189/4885TDP1 1739/4885
US-20060122194-A1 Tablet comprising efletirizine and pseudoephedrine HRH4, HRH1, HRH2 HRH1 2/4885DRD3 828/4885TDP1 2771/4885

“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.