SCHEMBL4822564

SCHEMBL4822564

c1ccc2c(CC3CNC3)c[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.71
MEN1 O00255 2/20 0.58
CYP3A4 P08684 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
AHR P35869 1/20 0.58
GPR84 Q9NQS5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR6 P50406 9/20 0.56
CYP2D6 P10635 2/20 0.53
BCHE P06276 1/20 0.53
MPO P05164 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2A6 P11509 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL27923059 0.87 SLC6A4 (0.82) SLC6A4MEN1CYP3A4KMT2AMAPT
SCHEMBL31302651 0.86 SLC6A4 (0.62) SLC6A4MEN1CYP3A4KMT2AMAPT
SCHEMBL12765737 0.85 SLC6A4 (0.81) SLC6A4MEN1CYP3A4KMT2AMAPT
SCHEMBL31302667 0.84 SLC6A4 (0.68) SLC6A4MEN1CYP3A4KMT2AMAPT
SCHEMBL31302691 0.84 SLC6A4 (0.68) SLC6A4MEN1CYP3A4KMT2AMAPT
SCHEMBL1998835 0.83 SLC6A4 (1.00) SLC6A4MEN1CYP3A4KMT2AMAPT
SCHEMBL30592374 0.83 SLC6A4 (1.00) SLC6A4MEN1CYP3A4KMT2AMAPT
SCHEMBL24178316 0.82 HTR6 (0.69) SLC6A4MEN1CYP3A4KMT2AMAPT
SCHEMBL30361714 0.82 HTR6 (0.69) SLC6A4MEN1CYP3A4KMT2AMAPT
SCHEMBL24178288 0.82 HTR6 (0.69) SLC6A4MEN1CYP3A4KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
CN-100352820-C Antidepressant azacyclomethyl derivatives of heterocycle-fused benzodioxans WYETH CORP (US) 2007-12-05 CN disclosed
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2007-01-04 US disclosed
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2007-01-04 US disclosed
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-28 US disclosed
US-7135479-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-11-14 US disclosed
CN-1701076-A Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH CORP (US) 2005-11-23 CN disclosed
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH 2004-07-08 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 (3 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 SLC6A4 216/4885MEN1 4332/4885CYP3A4 285/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A SLC6A4 263/4885MEN1 3556/4885CYP3A4 235/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 SLC6A4 278/4885MEN1 3435/4885CYP3A4 224/4885

“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.