SCHEMBL6330952

SCHEMBL6330952

Cc1ccc(-c2nc(-c3ccc(OCCN)cc3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 15/20 0.67
ATP4B P51164 15/20 0.67
RAB9A P51151 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
KMT2A Q03164 2/20 0.64
SREBF2 Q12772 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPK1 P28482 1/20 0.55
SREBF1 P36956 1/20 0.52

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
SCHEMBL6338054 1.00 ATP4A (0.67) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6328335 0.89 ATP4A (0.67) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6330664 0.88 ATP4A (0.66) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6409439 0.88 RAB9A (0.62) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6329454 0.85 ATP4A (0.57) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6329281 0.83 ATP4A (0.67) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6329450 0.83 AOC3 (0.61) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6327086 0.83 ATP4A (0.64) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL28327240 0.81 KDM4E (0.86) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL10660401 0.80 ATP4A (1.00) ATP4AATP4B

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 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.