SCHEMBL5092141

SCHEMBL5092141

CC(C)(C)[Si](C)(C)OCC[C@@H]1OCCc2cc(Br)ccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.34
DRD2 P14416 6/20 0.34
HTR2A P28223 6/20 0.34
HTR1A P08908 4/20 0.34
DRD4 P21917 3/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HTR1B P28222 2/20 0.32
THRB P10828 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
SRD5A1 P18405 1/20 0.30

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
SCHEMBL6811491 1.00 HTR1D (0.34) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL5092368 0.85 HTR1D (0.36) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL6808310 0.85 ESR1 (0.36) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL5090741 0.84 SMYD2 (0.38) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL6811129 0.81 HTR1D (0.52) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL5093705 0.81 HTR1D (0.52) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL5097946 0.81 HTR1D (0.43) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL6812077 0.81 HTR1D (0.43) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL6812143 0.81 CA14 (0.42) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL6811827 0.79 HTR1D (0.42) HTR1DDRD2HTR2AHTR1ADRD4

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 4 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
EP-1458703-B1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS LILLY CO ELI (US) 2007-02-28 EP disclosed
US-20050014750-A1 Isochroman compounds for treatment of cns disorders ELI LILLY AND COMPANY 2005-01-20 US disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 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 (2 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 201/4885DRD2 207/4885HTR2A 131/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR1D 124/4885DRD2 1606/4885HTR2A 2038/4885

“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.