SCHEMBL4185893

SCHEMBL4185893

O=C1COc2ccc(O[C@@H]3CCN(C(=O)O)C3)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.51
TRPV1 Q8NER1 4/20 0.46
GAA P10253 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
PKM P14618 1/20 0.43
CYP2C9 P11712 1/20 0.43
PARP1 P09874 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL4196161 1.00 HTR1A (0.51) HTR1ATRPV1GAAHTR1DHTR1B
SCHEMBL4185549 0.94 HTR1A (0.47) HTR1ATRPV1GAAHTR1DHTR1B
SCHEMBL4185512 0.93 HTR1A (0.55) HTR1ATRPV1GAAHTR1DHTR1B
SCHEMBL13927905 0.86 HRH3 (0.48) HTR1ATRPV1
SCHEMBL13927906 0.86 HRH3 (0.48) HTR1ATRPV1
SCHEMBL13927894 0.83 HTR1A (0.53) HTR1ATRPV1GAAHTR1DHTR1B
SCHEMBL13927892 0.83 HTR1A (0.53) HTR1ATRPV1GAAHTR1DHTR1B
SCHEMBL21061775 0.83 NR3C2 (0.52) HTR1ATRPV1GAAHTR1DALDH1A1
SCHEMBL30541704 0.83 NR3C2 (0.52) HTR1ATRPV1GAAHTR1DALDH1A1
SCHEMBL4180037 0.81 HRH3 (0.54) HTR1ATRPV1

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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 HTR1A 77/4885TRPV1 1505/4885GAA 430/4885

“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.