SCHEMBL1801358

SCHEMBL1801358

COc1ccccc1CN(C)Cc1cccc(CCO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.53
ACHE P22303 4/20 0.53
CHRM2 P08172 3/20 0.50
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA1D P25100 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 1/20 0.45
DRD1 P21728 1/20 0.44
DRD3 P35462 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR7 P34969 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
SCHEMBL4715342 0.82 PTGES (0.53) BCHEACHEMAPTMEN1KMT2A
SCHEMBL1797802 0.78 PTGES (0.48) BCHEACHEMEN1KMT2A
SCHEMBL1800734 0.77 MPO (0.55) BCHEKDM4EADRB2DRD2SMN1; SMN2
SCHEMBL8705108 0.76 CHRM2 (0.71) BCHEACHECHRM2MAPTMEN1
SCHEMBL1799366 0.76 KMT2A (0.58) BCHEACHECHRM2TSHRKMT2A
SCHEMBL1799798 0.75 ACHE (0.43) BCHEACHEMAPTSMN1; SMN2MEN1
SCHEMBL27761564 0.75 MEN1 (0.39) BCHEACHEADRB2ADRB1DRD2
SCHEMBL1801270 0.74 HDAC1 (0.43) BCHEACHEMEN1KMT2AABCB1
SCHEMBL7825553 0.72 ALDH1A1 (0.50) ACHEKDM4EGAAMAPTTSHR
SCHEMBL852646 0.72 TAAR1 (0.64) CHRM2GAAMAPTSMN1; SMN2SIGMAR1

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 5 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
CN-101443320-A Benzothiazole derivatives as beta 2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-05-27 CN 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 BCHE 893/4885ACHE 2061/4885CHRM2 90/4885

“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.