SCHEMBL6327723

SCHEMBL6327723

O=C(NCCOc1ccc(-n2cccn2)cc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 1/20 0.61
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.45
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
TGM2 P21980 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 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
SCHEMBL3811564 0.81 L3MBTL1 (0.80) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL12989014 0.78 LMNA (0.50) L3MBTL1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL20299180 0.78 L3MBTL1 (0.79) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL20500014 0.78 L3MBTL1 (0.74) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL9272300 0.77 L3MBTL1 (0.81) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL30288350 0.77 L3MBTL1 (0.77) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL4837972 0.77 L3MBTL1 (0.77) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL20008740 0.76 L3MBTL1 (0.71) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL6331080 0.76 L3MBTL1 (0.71) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL9205258 0.76 L3MBTL1 (0.75) L3MBTL1MAPTLMNASMN1; SMN2HTT

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 7 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-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 US disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US 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 (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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 L3MBTL1 2499/4885MAPT 4036/4885LMNA 1468/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 L3MBTL1 1686/4885MAPT 3969/4885LMNA 1332/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 L3MBTL1 2088/4885MAPT 4459/4885LMNA 1800/4885

“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.