SCHEMBL1796007

SCHEMBL1796007

COc1ccccc1CCNC(=O)Cc1cccc(CC(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.69
KMT2A Q03164 2/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 2/20 0.51

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
SCHEMBL7917103 0.90 TAAR1 (0.80) TAAR1KMT2APOLBMEN1NPC1
SCHEMBL1801128 0.88 NPC1 (0.80) TAAR1KMT2APOLBMEN1NPC1
SCHEMBL6377511 0.79 MTNR1A (0.68) TAAR1KMT2APOLBMEN1NPC1
SCHEMBL17117231 0.78 HPGD (0.73) TAAR1MTNR1AMTNR1BHPGD
SCHEMBL14241869 0.77 MTNR1A (0.72) TAAR1MTNR1AMTNR1BHPGD
SCHEMBL6788690 0.77 POLB (0.68) TAAR1KMT2APOLBMEN1
SCHEMBL9313075 0.77 KMT2A (0.70) TAAR1KMT2APOLBNPC1RAB9A
SCHEMBL11896371 0.77 MTNR1A (0.77) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL3205671 0.75 TAAR1 (0.72) TAAR1KMT2APOLBMEN1NPC1
SCHEMBL28465013 0.74 NPC1 (0.81) TAAR1KMT2APOLBMEN1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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 (1 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 TAAR1 364/4885KMT2A 3348/4885POLB 3350/4885

“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.