SCHEMBL6327086

SCHEMBL6327086

Cc1nc(-c2ccc(OCCN)cc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 4/20 0.64
▸ ATP4B P51164 4/20 0.64
▸ GAA P10253 3/20 0.53
▸ RAB9A P51151 7/20 0.52
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ADRB2 P07550 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ ADRB3 P13945 1/20 0.49
▸ NPC1 O15118 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6329454 0.93 ATP4A (0.57) ATP4AATP4BGAARAB9AMAPT
SCHEMBL21845145 0.93 ATP4A (0.66) ATP4AATP4BGAARAB9AMAPT
SCHEMBL19626566 0.86 ATP4A (0.65) ATP4AATP4BGAARAB9AMAPT
SCHEMBL8113094 0.85 ATP4A (0.64) ATP4AATP4BGAARAB9AMAPT
SCHEMBL6336181 0.84 MAPT (0.49) ATP4AATP4BRAB9AMAPTMEN1
SCHEMBL6330952 0.83 ATP4A (0.67) ATP4AATP4BRAB9AMAPTMEN1
SCHEMBL6338054 0.83 ATP4A (0.67) ATP4AATP4BRAB9AMAPTMEN1
SCHEMBL6330856 0.81 MAPT (0.49) ATP4AATP4BRAB9AMAPTMEN1
SCHEMBL6329016 0.81 ADRB1 (0.52) ATP4AATP4BRAB9AMAPTMEN1
SCHEMBL6328984 0.80 MEN1 (0.54) ATP4AATP4BRAB9AMAPTMEN1

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 723/4885GAA 1644/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ATP4A 774/4885ATP4B 657/4885GAA 2171/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ATP4A 667/4885ATP4B 932/4885GAA 2353/4885

“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.

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