SCHEMBL4828133

SCHEMBL4828133

Fc1ccc2c(CC3CCCNC3)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.56
GPR84 Q9NQS5 1/20 0.54
HTR2A P28223 3/20 0.50
MAPK1 P28482 1/20 0.49
HTR6 P50406 6/20 0.45
DRD2 P14416 1/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR1A P08908 1/20 0.44
EED O75530 3/20 0.42
BRD3 Q15059 1/20 0.42

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
SCHEMBL4829683 0.90 SLC6A4 (0.71) SLC6A4GPR84HTR2AMAPK1HTR1A
SCHEMBL9635359 0.83 SLC6A4 (0.79) SLC6A4GPR84HTR2AMAPK1HTR1A
SCHEMBL26996489 0.83 GPR84 (0.67) SLC6A4GPR84HTR2AMAPK1DRD2
SCHEMBL8125191 0.81 SLC6A4 (0.84) SLC6A4GPR84HTR2AMAPK1HTR1A
SCHEMBL31302667 0.81 SLC6A4 (0.68) SLC6A4GPR84HTR6EED
SCHEMBL31302691 0.81 SLC6A4 (0.68) SLC6A4GPR84HTR6EED
SCHEMBL24178671 0.79 GPR84 (0.65) SLC6A4GPR84HTR2AMAPK1HTR6
SCHEMBL3468392 0.77 EED (0.45) SLC6A4HTR2ADRD2HTR2CKCNH2
SCHEMBL3468391 0.77 EED (0.45) SLC6A4HTR2ADRD2HTR2CKCNH2
SCHEMBL4821123 0.75 SLC6A4 (0.74) SLC6A4GPR84HTR2AMAPK1HTR2C

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 8 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
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-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 216/4885GPR84 361/4885HTR2A 77/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A SLC6A4 263/4885GPR84 382/4885HTR2A 84/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 SLC6A4 278/4885GPR84 315/4885HTR2A 112/4885

“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.