SCHEMBL5090663

SCHEMBL5090663

NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCC(c2ccc3c4c(cccc24)CC3)CC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.78
HTR1B P28222 11/20 0.78
DRD2 P14416 3/20 0.56
HTR2A P28223 3/20 0.56
HTR1A P08908 3/20 0.56
DRD4 P21917 1/20 0.56
SLC6A4 P31645 2/20 0.55

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
SCHEMBL27563581 1.00 HTR1D (0.78) HTR1DHTR1BDRD2HTR2AHTR1A
SCHEMBL6812051 0.88 HTR1D (1.00) HTR1DHTR1BDRD2HTR2AHTR1A
SCHEMBL5090634 0.84 HTR1D (0.63) HTR1DHTR1BDRD2HTR2AHTR1A
SCHEMBL8550171 0.84 HTR1D (0.76) HTR1DHTR1BDRD2HTR2AHTR1A
SCHEMBL6811594 0.82 HTR1D (0.82) HTR1DHTR1BDRD2HTR1ASLC6A4
SCHEMBL6812692 0.82 HTR1D (0.82) HTR1DHTR1BDRD2HTR1ASLC6A4
SCHEMBL6812810 0.81 HTR1D (0.75) HTR1DHTR1BDRD2HTR2AHTR1A
SCHEMBL6811960 0.80 HTR1D (0.78) HTR1DHTR1BDRD2HTR2AHTR1A
SCHEMBL6811572 0.78 HTR1D (0.72) HTR1DHTR1BDRD2HTR1ASLC6A4
SCHEMBL5097902 0.78 HTR1D (0.72) HTR1DHTR1BDRD2HTR2AHTR1A

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 3 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

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 185/4885DRD2 207/4885

“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.