SCHEMBL1799518

SCHEMBL1799518

Clc1cccc(Cl)c1CCNCc1cccc(I)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADRB2 P07550 5/20 0.44
ADRB1 P08588 3/20 0.41
DRD2 P14416 3/20 0.41
ADRA1D P25100 3/20 0.41
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
FOLH1 Q04609 1/20 0.39
BCHE P06276 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 2/20 0.38
MPO P05164 1/20 0.38
HDAC1 Q13547 1/20 0.37

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
SCHEMBL3991512 0.80 GAA (0.63) CYP1A2CYP2D6CYP2C19CYP3A4GAA
SCHEMBL2852240 0.77 MC5R (0.58) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2854483 0.77 CHRM2 (0.55) CHRM2CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL5947943 0.77 BCHE (0.55) CHRM2BCHEKDM4E
SCHEMBL11233431 0.75 MC4R (0.54) CHRM2CYP1A2CYP2D6CYP2C19FOLH1
SCHEMBL2037464 0.75 CYP1A2 (0.49) CHRM2CYP1A2CYP2D6CYP2C19FOLH1
SCHEMBL2854473 0.74 TAAR1 (0.50) CYP2D6CYP2C19CYP3A4ADRB2GAA
SCHEMBL2854409 0.74 CYP1A2 (0.59) CHRM2CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL5947527 0.74 BCHE (0.51) CHRM2CYP2D6DRD2ADRA1DBCHE
SCHEMBL2483013 0.73 GAA (0.62) CYP1A2CYP2D6CYP2C19CYP3A4GAA

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 2 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

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 CHRM2 90/4885CYP1A2 215/4885CYP2D6 1188/4885

“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.