SCHEMBL6328335

SCHEMBL6328335

COc1ccc(-c2nc(-c3ccc(OCCN)cc3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.67
ATP4B P51164 5/20 0.67
MAPT P10636 5/20 0.64
RAB9A P51151 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 2/20 0.64
POLB P06746 2/20 0.64
ATM Q13315 1/20 0.64
CDC25A P30304 1/20 0.64
CDC25B P30305 1/20 0.64
CYP19A1 P11511 2/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
SREBF2 Q12772 1/20 0.56
LTA4H P09960 1/20 0.56
MAPK1 P28482 1/20 0.55
CYP1A1 P04798 1/20 0.54
CYP1B1 Q16678 1/20 0.54

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 0.89 ATP4A (0.67) ATP4AATP4BMAPTRAB9AMEN1
SCHEMBL6330952 0.89 ATP4A (0.67) ATP4AATP4BMAPTRAB9AMEN1
SCHEMBL6409439 0.88 RAB9A (0.62) ATP4AATP4BMAPTRAB9AMEN1
SCHEMBL6330664 0.88 ATP4A (0.66) ATP4AATP4BMAPTRAB9AMEN1
SCHEMBL1180215 0.85 MAPT (0.84) ATP4AATP4BMAPTRAB9AMEN1
SCHEMBL6329281 0.83 ATP4A (0.67) ATP4AATP4BMAPTRAB9AMEN1
SCHEMBL6329454 0.83 ATP4A (0.57) ATP4AATP4BMAPTRAB9AMEN1
SCHEMBL13394699 0.81 MAPT (0.73) ATP4AATP4BMAPTRAB9AMEN1
SCHEMBL10659822 0.80 ATP4A (1.00) ATP4AATP4B
SCHEMBL6329780 0.80 SREBF2 (0.68) ATP4AATP4BMAPTRAB9AMEN1

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 723/4885MAPT 4036/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ATP4A 774/4885ATP4B 657/4885MAPT 3969/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ATP4A 667/4885ATP4B 932/4885MAPT 4459/4885

“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.