SCHEMBL6328186

SCHEMBL6328186

NCCOc1ccc(Cc2nnc(-c3ccccc3)o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 3/20 0.64
TSHR P16473 2/20 0.64
GPR55 Q9Y2T6 1/20 0.64
LTA4H P09960 1/20 0.57
ALDH1A1 P00352 4/20 0.56
POLB P06746 2/20 0.56
NOTUM Q6P988 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.53
HDAC6 Q9UBN7 1/20 0.52
TP53 P04637 2/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL5640148 0.81 RAB9A (0.62) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11006387 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL5670474 0.77 RAB9A (0.93) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL5637440 0.77 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL29004512 0.76 RAB9A (0.88) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL7138354 0.75 LTA4H (1.00) SMN1; SMN2HPGDLTA4HL3MBTL1TAAR1
SCHEMBL19343385 0.74 RAB9A (0.81) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL5638902 0.74 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL5640654 0.73 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL863481 0.73 NOTUM (0.65) RAB9ANPC1SMN1; SMN2HPGDTSHR

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 12 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 claimed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US claimed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP claimed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US claimed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 WO claimed
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 RAB9A 1113/4885NPC1 912/4885SMN1; SMN2 2178/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 RAB9A 891/4885NPC1 1002/4885SMN1; SMN2 2100/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 RAB9A 1019/4885NPC1 1227/4885SMN1; SMN2 3271/4885

“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.