SCHEMBL4829683

SCHEMBL4829683

Fc1ccc2[nH]cc(CC3CCCNC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.71
MAPK1 P28482 1/20 0.62
GPR84 Q9NQS5 2/20 0.54
MPO P05164 8/20 0.51
HTR2A P28223 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
HTR1A P08908 1/20 0.48
KMT2A Q03164 1/20 0.48
BCHE P06276 1/20 0.47
TSHR P16473 1/20 0.47
BRD3 Q15059 1/20 0.47

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
SCHEMBL8125191 0.92 SLC6A4 (0.84) SLC6A4MAPK1GPR84MPOHTR2A
SCHEMBL4828133 0.90 SLC6A4 (0.56) SLC6A4MAPK1GPR84HTR2AHTR1A
SCHEMBL4821123 0.86 SLC6A4 (0.74) SLC6A4MAPK1GPR84MPOHTR2A
SCHEMBL5726056 0.83 SLC6A4 (1.00) SLC6A4MAPK1GPR84MPOHTR2A
SCHEMBL26996488 0.83 SLC6A4 (0.83) SLC6A4MAPK1GPR84MPOHTR2A
SCHEMBL8655091 0.81 HTR1A (0.60) GPR84HTR2ATRPM8HTR1ATSHR
SCHEMBL31302667 0.81 SLC6A4 (0.68) SLC6A4GPR84KMT2ABCHE
SCHEMBL31302691 0.81 SLC6A4 (0.68) SLC6A4GPR84KMT2ABCHE
SCHEMBL30877187 0.80 HTR6 (0.67) SLC6A4MAPK1GPR84HTR2A
SCHEMBL29206564 0.80 HTR6 (0.67) SLC6A4MAPK1GPR84HTR2A

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 7 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-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 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 216/4885MAPK1 3811/4885GPR84 361/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A SLC6A4 263/4885MAPK1 3523/4885GPR84 382/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 SLC6A4 278/4885MAPK1 2795/4885GPR84 315/4885

“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.