SCHEMBL6334705

SCHEMBL6334705

NCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.68
ATP4B P51164 3/20 0.68
RAB9A P51151 4/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 1/20 0.63
ADRB1 P08588 2/20 0.62
ADRB3 P13945 2/20 0.62
CYP19A1 P11511 8/20 0.62
AXL P30530 1/20 0.62
PBRM1 Q86U86 1/20 0.62
MKNK1 Q9BUB5 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
NPC1 O15118 3/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ADRB2 P07550 1/20 0.56
HPGDS O60760 1/20 0.55

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
SCHEMBL6409439 0.86 RAB9A (0.62) ATP4AATP4BRAB9AKDM4EADRB1
SCHEMBL6330664 0.86 ATP4A (0.66) ATP4AATP4BRAB9AMAPT
SCHEMBL10656961 0.81 ATP4A (1.00) ATP4AATP4B
SCHEMBL12443403 0.81 CYP19A1 (0.90) ATP4AATP4BRAB9AKDM4EALDH1A1
SCHEMBL14080906 0.80 CYP19A1 (0.71) RAB9AALDH1A1CYP19A1MKNK1MKNK2
SCHEMBL6338054 0.80 ATP4A (0.67) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL6328335 0.80 ATP4A (0.67) ATP4AATP4BRAB9AKDM4EALDH1A1
SCHEMBL6330952 0.80 ATP4A (0.67) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL14320817 0.79 RAB9A (0.77) RAB9AKDM4EALDH1A1CYP19A1AXL
SCHEMBL727502 0.79 ATP4A (0.60) ATP4AATP4BRAB9AKDM4EALDH1A1

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 10 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
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US 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 ATP4A 790/4885ATP4B 723/4885RAB9A 1113/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ATP4A 774/4885ATP4B 657/4885RAB9A 891/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ATP4A 667/4885ATP4B 932/4885RAB9A 1019/4885

“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.