SCHEMBL5090751

SCHEMBL5090751

C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCCc2cc(C#N)ccc21

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.76
HTR1B P28222 12/20 0.76
SLC6A4 P31645 11/20 0.76
HTR1A P08908 8/20 0.76
DRD2 P14416 2/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL5088629 0.89 SLC6A4 (0.81) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL5088732 0.88 HTR1D (0.80) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL5092202 0.88 HTR1D (0.80) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL5088686 0.87 HTR1D (0.78) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6810990 0.86 HTR1D (1.00) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811819 0.86 HTR1D (0.78) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6808349 0.86 SLC6A4 (0.73) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811543 0.85 HTR1D (1.00) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL5093515 0.85 HTR1D (0.75) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6812134 0.85 HTR1D (0.77) HTR1DHTR1BSLC6A4HTR1ADRD2

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
CN-1312148-C Isochroman compounds for treatment of CNS disorders LILLY CO ELI (US) 2007-04-25 CN disclosed
CN-1620447-A Isochroman compounds for treatment of cns disorders LILLY CO ELI (US) 2005-05-25 CN 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 185/4885SLC6A4 506/4885

“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.