SCHEMBL6329454

SCHEMBL6329454

Cc1nc(-c2nc(-c3ccc(OCCN)cc3)cs2)cs1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 16/20 0.57
ATP4B P51164 16/20 0.57
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL6327086 0.93 ATP4A (0.64) ATP4AATP4BMEN1MAPTRAB9A
SCHEMBL21845145 0.86 ATP4A (0.66) ATP4AATP4BMEN1MAPTRAB9A
SCHEMBL6338054 0.85 ATP4A (0.67) ATP4AATP4BMEN1MAPTRAB9A
SCHEMBL6330952 0.85 ATP4A (0.67) ATP4AATP4BMEN1MAPTRAB9A
SCHEMBL6328335 0.83 ATP4A (0.67) ATP4AATP4BMEN1MAPTRAB9A
SCHEMBL6330664 0.81 ATP4A (0.66) ATP4AATP4BMEN1MAPTRAB9A
SCHEMBL6409439 0.81 RAB9A (0.62) ATP4AATP4BMEN1MAPTRAB9A
SCHEMBL19626566 0.80 ATP4A (0.65) ATP4AATP4BMEN1MAPTRAB9A
SCHEMBL8113094 0.79 ATP4A (0.64) ATP4AATP4BMEN1MAPTRAB9A
SCHEMBL6336181 0.78 MAPT (0.49) ATP4AATP4BMEN1MAPTRAB9A

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 723/4885MEN1 3723/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ATP4A 774/4885ATP4B 657/4885MEN1 3299/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ATP4A 667/4885ATP4B 932/4885MEN1 3572/4885

“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.