SCHEMBL909935

SCHEMBL909935

OCCCN1c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 3/20 0.53
TP53 P04637 3/20 0.53
HTR2A P28223 5/20 0.49
SLC6A2 P23975 5/20 0.49
CHRM2 P08172 4/20 0.49
CHRM1 P11229 4/20 0.49
DRD2 P14416 4/20 0.49
ADRA2B P18089 4/20 0.49
ADRA2C P18825 4/20 0.49
SLC6A4 P31645 4/20 0.49
ADRA1A P35348 4/20 0.49
HRH1 P35367 4/20 0.49
DRD3 P35462 4/20 0.49
KCNH2 Q12809 4/20 0.49
HTR1A P08908 3/20 0.49
DRD1 P21728 3/20 0.49
OPRM1 P35372 3/20 0.49
CACNA1B Q00975 3/20 0.49
SLC6A3 Q01959 3/20 0.49

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
SCHEMBL5710968 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1TP53HTR2ASLC6A2
SCHEMBL30634566 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1TP53HTR2ASLC6A2
SCHEMBL30634565 0.91 ALDH1A1 (0.47) ALDH1A1MAPK1TP53HTR2ASLC6A2
SCHEMBL5711036 0.91 ALDH1A1 (0.47) ALDH1A1MAPK1TP53HTR2ASLC6A2
SCHEMBL5711013 0.91 ALDH1A1 (0.47) ALDH1A1MAPK1TP53HTR2ASLC6A2
SCHEMBL5711008 0.86 ALDH1A1 (0.44) ALDH1A1MAPK1TP53HTR2ASLC6A2
SCHEMBL5711037 0.86 ALDH1A1 (0.44) ALDH1A1MAPK1TP53HTR2ASLC6A2
SCHEMBL5711025 0.84 HTR2A (0.47) ALDH1A1MAPK1TP53HTR2ASLC6A2
SCHEMBL29833637 0.84 HTR2A (0.47) ALDH1A1MAPK1TP53HTR2ASLC6A2
SCHEMBL6961973 0.83 HTR2A (0.68) ALDH1A1MAPK1TP53HTR2ASLC6A2

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-20110021564-A1 METHOD OF TREATING BINGE EATING DISORDER AND OBESITY RESULTING FROM BINGE EATING BEHAVIOR LCS GROUP, LLC (US) 2011-01-27 US claimed

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-20110021564-A1 METHOD OF TREATING BINGE EATING DISORDER AND OBESITY RESULTING FROM BINGE EATING BEHAVIOR COMT, MC4R, SLC6A4 ALDH1A1 400/4885MAPK1 4788/4885TP53 4852/4885

“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.