SCHEMBL6336185

SCHEMBL6336185

NCCOc1ccc(-c2csc(CCc3ccccc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.57
▸ LTA4H P09960 1/20 0.48
▸ ATP4A P20648 11/20 0.46
▸ ATP4B P51164 11/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 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
SCHEMBL6328984 0.83 MEN1 (0.54) LOXL2TAAR1ATP4AATP4BRAB9A
SCHEMBL6330664 0.82 ATP4A (0.66) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6330775 0.81 ATP4A (0.53) LOXL2TAAR1ATP4AATP4BRAB9A
Hydrochloric Acid SCHEMBL17261481 0.79 TAAR1 (0.71) LOXL2TAAR1LTA4HRAB9AMEN1
SCHEMBL5658820 0.75 LOXL2 (1.00) LOXL2TAAR1LTA4HRAB9AMEN1
SCHEMBL6327086 0.74 ATP4A (0.64) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6409439 0.74 RAB9A (0.62) ATP4AATP4BRAB9AMEN1MAPT
SCHEMBL6330834 0.73 RAB9A (0.54) ATP4AATP4BRAB9AMEN1MAPT
Hydrochloric Acid SCHEMBL17261468 0.73 TAAR1 (1.00) LOXL2TAAR1RAB9AMEN1MAPT
Hydrochloric Acid SCHEMBL7504450 0.73 TAAR1 (1.00) LOXL2TAAR1RAB9AMEN1MAPT

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 LOXL2 2605/4885TAAR1 45/4885LTA4H 1336/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 LOXL2 3290/4885TAAR1 60/4885LTA4H 1419/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 LOXL2 1945/4885TAAR1 21/4885LTA4H 1134/4885

“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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