SCHEMBL6329780

SCHEMBL6329780

CCc1cc(-c2nc(-c3ccc(OCCN)cc3)cs2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 13/20 0.68
SREBF1 P36956 2/20 0.68
MAPT P10636 5/20 0.57
MEN1 O00255 2/20 0.57
RAB9A P51151 2/20 0.57
KMT2A Q03164 2/20 0.57
ATM Q13315 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
RECQL P46063 1/20 0.54
ATP4A P20648 2/20 0.49
ATP4B P51164 2/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL4279559 0.81 SREBF2 (1.00) SREBF2SREBF1MAPTRAB9AATM
SCHEMBL6409439 0.81 RAB9A (0.62) MAPTMEN1RAB9AKMT2AKDM4E
SCHEMBL6330952 0.80 ATP4A (0.67) SREBF2SREBF1MAPTMEN1RAB9A
SCHEMBL4284101 0.80 SREBF2 (0.81) SREBF2SREBF1MAPTRAB9AATM
SCHEMBL6338054 0.80 ATP4A (0.67) SREBF2SREBF1MAPTMEN1RAB9A
SCHEMBL6328335 0.80 ATP4A (0.67) SREBF2MAPTMEN1RAB9AKMT2A
SCHEMBL6330675 0.80 RAB9A (0.57) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL6330664 0.79 ATP4A (0.66) MAPTMEN1RAB9AKMT2AATP4A
SCHEMBL6329454 0.77 ATP4A (0.57) MAPTMEN1RAB9AKMT2AATP4A
SCHEMBL6334705 0.76 ATP4A (0.68) MAPTRAB9AALDH1A1KDM4EATP4A

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 SREBF2 1434/4885SREBF1 1050/4885MAPT 4036/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 SREBF2 1734/4885SREBF1 1201/4885MAPT 3969/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 SREBF2 1970/4885SREBF1 1703/4885MAPT 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.