SCHEMBL6329016

SCHEMBL6329016

NCCOc1ccc(-c2csc(C(F)(F)F)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
RAB9A P51151 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATP4A P20648 12/20 0.46
ATP4B P51164 12/20 0.46
LTA4H P09960 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL6336181 0.86 MAPT (0.49) RAB9AMAPTMEN1KMT2AATP4A
SCHEMBL6329281 0.82 ATP4A (0.67) RAB9AMAPTMEN1KMT2AATP4A
SCHEMBL6327086 0.81 ATP4A (0.64) ADRB1ADRB3RAB9AMAPTMEN1
SCHEMBL12987349 0.78 NPC1 (0.61) RAB9AMAPTMEN1KMT2AATP4A
SCHEMBL6330952 0.77 ATP4A (0.67) RAB9AMAPTMEN1KMT2AATP4A
SCHEMBL6338054 0.77 ATP4A (0.67) RAB9AMAPTMEN1KMT2AATP4A
SCHEMBL6329454 0.76 ATP4A (0.57) RAB9AMAPTMEN1KMT2AATP4A
SCHEMBL2222773 0.76 LTA4H (0.49) ADRB3RAB9AMAPTMEN1KMT2A
SCHEMBL6330664 0.75 ATP4A (0.66) RAB9AMAPTMEN1KMT2AATP4A
SCHEMBL6330856 0.75 MAPT (0.49) RAB9AMAPTMEN1KMT2AATP4A

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 ADRB1 2/4885ADRB3 1/4885RAB9A 1113/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ADRB1 2/4885ADRB3 1/4885RAB9A 891/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ADRB1 3/4885ADRB3 1/4885RAB9A 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.