SCHEMBL5092307

SCHEMBL5092307

OCC[C@@H]1OCCc2cc(N=C(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.38
HTR1B P28222 2/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD2 P14416 4/20 0.33
HTR2A P28223 4/20 0.33
DRD1 P21728 4/20 0.33
HTR1A P08908 3/20 0.33
DRD4 P21917 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL5090740 0.82 THRB (0.38) HTR1DHTR1BTHRBALDH1A1MAPT
SCHEMBL5093583 0.82 THRB (0.36) HTR1DHTR1BTHRBALDH1A1MAPT
SCHEMBL8550172 0.75 HTR1D (0.46) HTR1DHTR1BALDH1A1SLC6A4DRD2
SCHEMBL6640390 0.74 ALDH1A1 (0.52) HTR1DALDH1A1GAAL3MBTL1MAPT
SCHEMBL20906645 0.74 ALDH1A1 (0.52) HTR1DALDH1A1GAAL3MBTL1MAPT
SCHEMBL7408325 0.72 XBP1 (0.40) HTR1DHTR1BTHRBALDH1A1SLC6A4
SCHEMBL5088620 0.72 PNMT (0.41) HTR1DHTR1BMAPTHTTSLC6A4
SCHEMBL7401152 0.72 HTR1D (0.46) HTR1DHTR1BSLC6A4DRD2HTR2A
SCHEMBL5090707 0.72 PNMT (0.41) HTR1DHTR1BMAPTHTTSLC6A4
SCHEMBL6812048 0.72 HTR1D (0.56) HTR1DHTR1BSLC6A4DRD2HTR2A

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-7335660-B2 Isochroman compounds for treatment of CNS disorders ELI LILLY AND COMPANY (US) 2008-02-26 US disclosed
US-20050014750-A1 Isochroman compounds for treatment of cns disorders ELI LILLY AND COMPANY 2005-01-20 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-20050014750-A1 Isochroman compounds for treatment of cns disorders INA, CNR2, CNR1 HTR1D 201/4885HTR1B 185/4885THRB 3190/4885

“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.