SCHEMBL6326282

SCHEMBL6326282

O=C(CBr)c1ccc(OCCN(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.48
ACHE P22303 4/20 0.48
GSK3B P49841 3/20 0.46
PTPN1 P18031 2/20 0.46
EGFR P00533 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL4877516 0.86 TSHR (0.63) BCHEACHEEGFRTSHRMEN1
SCHEMBL6335583 0.84 MAOB (0.60) BCHEACHETSHRNPC1LMNA
SCHEMBL4987644 0.81 PLA2G4B (0.63) GSK3BPTPN1NPC1MEN1KMT2A
SCHEMBL4983185 0.80 PLA2G4B (0.65) GSK3BPTPN1NPC1MEN1KMT2A
SCHEMBL1122947 0.78 LPAR1 (0.59) PKM
SCHEMBL14087168 0.77 ACHE (0.52) BCHEACHEGSK3BPTPN1EGFR
SCHEMBL41220 0.77 NR4A1 (0.70) GSK3BPTPN1EGFRLMNACYP1A2
SCHEMBL1122800 0.77 MAPT (0.62) NPC1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1122672 0.76 PKM (0.63) BCHEACHEEGFRMEN1KMT2A
SCHEMBL631740 0.76 THRA (0.57) BCHEACHEGSK3BEGFRNPC1

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-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC 2005-04-07 US disclosed
US-6864268-B2 β3 adrenergic receptor agonists PFIZER INC. (US) 2005-03-08 US disclosed
EP-1485379-A1 BETA 3-ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2004-12-15 EP disclosed
US-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 US disclosed
US-20030212063-A1 beta3 adrenergic receptor agonists PFIZER INC. 2003-11-13 US disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US disclosed
WO-2003072572-A1 BETA3-ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP disclosed
US-6566377-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-05-20 US disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US disclosed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 BCHE 2555/4885ACHE 2125/4885GSK3B 588/4885
US-20030212063-A1 beta3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 BCHE 1604/4885ACHE 1183/4885GSK3B 782/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 BCHE 2366/4885ACHE 1517/4885GSK3B 465/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 BCHE 1740/4885ACHE 3710/4885GSK3B 1356/4885

“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.