SCHEMBL6109580

SCHEMBL6109580

Cc1ccc2c3c(ccc2n1)OCC(CCc1ccc(S(=O)(=O)O)cc1)O3

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.48
DRD2 P14416 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
DRD4 P21917 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A4 P31645 2/20 0.42
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL6834659 1.00 HTR1A (0.48) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5444167 0.83 MEN1 (0.38) HTR1ADRD2MEN1TSHRKMT2A
SCHEMBL4821524 0.82 TSHR (0.35) HTR1AMEN1TSHRKMT2ALMNA
SCHEMBL4363794 0.77 HTR1A (0.55) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4998334 0.77 HTR1A (0.55) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4375168 0.77 HTR1A (0.55) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL6107718 0.77 DRD2 (0.43) HTR1ADRD2DRD4DRD3MEN1
SCHEMBL4375219 0.76 HTR1A (0.47) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4372252 0.76 HTR1A (0.47) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL13927903 0.76 HTR1A (0.56) HTR1ADRD2CYP3A4CYP2C8DRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-28 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-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH HTR1A 121/4885DRD2 20/4885CYP3A4 285/4885

“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.