SCHEMBL13360727

SCHEMBL13360727

CNCC(O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.66
ADRB1 P08588 11/20 0.63
SLC6A2 P23975 1/20 0.61
ADRA1D P25100 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SRSF6 Q13247 1/20 0.61
CYP1B1 Q16678 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL14239433 1.00 ADRB2 (0.66) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL9970989 0.86 ADRB2 (0.67) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL18946398 0.86 ADRB2 (0.81) ADRB2ADRB1
SCHEMBL14684192 0.86 ADRB2 (0.66) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL20730387 0.86 ADRB2 (0.66) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL14290919 0.85 ADRB2 (0.70) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL27936171 0.85 ADRB2 (0.62) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Hydrochloric Acid SCHEMBL11448321 0.85 ADRB2 (0.69) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL4875051 0.83 ADRB2 (0.70) ADRB2ADRB1
SCHEMBL27950326 0.83 ADRB2 (0.66) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 ADRB2 108/4885ADRB1 47/4885SLC6A2 3525/4885

“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.