SCHEMBL5090740

SCHEMBL5090740

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
HTR1D P28221 8/20 0.35
HTR1B P28222 3/20 0.35
KDM4C Q9H3R0 2/20 0.35
DRD2 P14416 5/20 0.35
HTR2A P28223 5/20 0.35
HTR1A P08908 3/20 0.35
DRD4 P21917 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL5093583 0.82 THRB (0.36) THRBHTR1DHTR1BKDM4CDRD2
SCHEMBL5092307 0.82 HTR1D (0.38) THRBHTR1DHTR1BDRD2HTR2A
SCHEMBL5138899 0.78 DRD2 (0.47) THRBHTR1DKDM4CDRD2HTR2A
SCHEMBL6808402 0.78 HTR1D (0.53) HTR1DHTR1BDRD2HTR2AHTR1A
SCHEMBL5088740 0.78 HTR1D (0.53) HTR1DHTR1BDRD2HTR2AHTR1A
SCHEMBL6811873 0.77 HTR6 (0.39) THRBHTR1DHTR1BDRD2HTR2A
SCHEMBL5088651 0.77 HTR1D (0.36) THRBHTR1DHTR1BKDM4CDRD2
SCHEMBL6812993 0.77 HTR1D (0.36) THRBHTR1DHTR1BKDM4CDRD2
SCHEMBL6811442 0.76 HTR1D (0.42) THRBHTR1DHTR1BKDM4CDRD2
SCHEMBL6811792 0.76 HTR1D (0.55) THRBHTR1DHTR1BDRD2HTR2A

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 THRB 3190/4885HTR1D 201/4885HTR1B 185/4885

“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.