SCHEMBL6328984

SCHEMBL6328984

CCCc1nc(-c2ccc(OCCN)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ LOXL2 Q9Y4K0 2/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.50
▸ ATP4A P20648 11/20 0.49
▸ ATP4B P51164 11/20 0.49
▸ MAPK1 P28482 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SREBF2 Q12772 1/20 0.44

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
SCHEMBL6330775 0.92 ATP4A (0.53) MEN1MAPTRAB9AKMT2ALOXL2
SCHEMBL6336185 0.83 LOXL2 (0.58) MEN1MAPTRAB9AKMT2ALOXL2
SCHEMBL6327086 0.80 ATP4A (0.64) MEN1MAPTRAB9AKMT2AATP4A
SCHEMBL6329587 0.78 CDK5 (0.44) MEN1MAPTRAB9AKMT2ALOXL2
SCHEMBL6336181 0.77 MAPT (0.49) MEN1MAPTRAB9AKMT2AATP4A
SCHEMBL6330856 0.77 MAPT (0.49) MEN1MAPTRAB9AKMT2AATP4A
SCHEMBL6338054 0.76 ATP4A (0.67) MEN1MAPTRAB9AKMT2AATP4A
SCHEMBL6328335 0.76 ATP4A (0.67) MEN1MAPTRAB9AKMT2AATP4A
SCHEMBL6330952 0.76 ATP4A (0.67) MEN1MAPTRAB9AKMT2AATP4A
SCHEMBL3143838 0.76 RAB9A (0.72) MEN1MAPTRAB9AKMT2AATP4A

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 MEN1 3723/4885MAPT 4036/4885RAB9A 1113/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 MEN1 3299/4885MAPT 3969/4885RAB9A 891/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 MEN1 3572/4885MAPT 4459/4885RAB9A 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.

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