SCHEMBL2698650

SCHEMBL2698650

NCC(OCCF)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.53
CHRNA4 P43681 3/20 0.53
TAAR1 Q96RJ0 4/20 0.46
HTR2A P28223 3/20 0.46
NOS2 P35228 1/20 0.42
HRH1 P35367 2/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNK2 O95069 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL5549297 0.86 CHRNB2 (0.51) CHRNB2CHRNA4TAAR1HTR2ANOS2
SCHEMBL7263992 0.82 CHRNB2 (0.51) CHRNB2CHRNA4TAAR1HTR2ANOS2
SCHEMBL2911081 0.79 CHRNB2 (0.49) CHRNB2CHRNA4TAAR1HTR2ANOS2
SCHEMBL147186 0.78 CHRNB2 (0.54) CHRNB2CHRNA4TAAR1HTR2ANOS2
SCHEMBL2701320 0.77 CHRNB2 (0.50) CHRNB2CHRNA4TAAR1HTR2ANOS2
SCHEMBL10458379 0.77 TAAR1 (0.41) CHRNB2CHRNA4TAAR1HTR2AHRH1
SCHEMBL10456715 0.77 SCN1A (0.57) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL18357927 0.77 CHRNB2 (0.46) CHRNB2CHRNA4TAAR1HTR2ANOS2
SCHEMBL17892069 0.77 CHRNB2 (0.50) CHRNB2CHRNA4TAAR1HTR2ANOS2
SCHEMBL9216785 0.76 CHRNB2 (0.77) CHRNB2CHRNA4TAAR1HTR2ANOS2

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-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 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-20100286202-A1 New Compounds REN, PCSK9, FURIN CHRNB2 4721/4885CHRNA4 4624/4885TAAR1 4096/4885

“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.