SCHEMBL4820405

SCHEMBL4820405

Fc1ccc2ccn(CC3CCNCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 2/20 0.44
SLC6A4 P31645 1/20 0.42
KDM1A O60341 6/20 0.41
NPY5R Q15761 1/20 0.40
P2RX7 Q99572 1/20 0.39
CCR3 P51677 1/20 0.39

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
SCHEMBL4826353 0.85 HTR2C (0.50) HTR2CHTR2AHTR7KDM1ANPY5R
SCHEMBL4824315 0.80 KDM1A (0.54) SLC6A4KDM1A
SCHEMBL4777232 0.78 HTR6 (0.52) HTR2CHTR2ASLC6A4
SCHEMBL30437542 0.78 HTR2C (0.53) HTR2CHTR2AHTR7NPY5RP2RX7
SCHEMBL15566657 0.78 GRIA2 (0.46) SLC6A4KDM1A
SCHEMBL5871970 0.76 SCD (0.46) HTR2CHTR2ACCR3
SCHEMBL17063357 0.75 HTR2A (0.47) HTR2CHTR2AHTR7SLC6A4KDM1A
SCHEMBL4820293 0.75 HTR7 (0.49) HTR2CHTR2AHTR7NPY5RP2RX7
SCHEMBL1993304 0.75 HDAC8 (0.51) KDM1A
SCHEMBL4258494 0.75 MAP3K5 (0.38) HTR7KDM1A

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 6 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
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 HTR2C 13/4885HTR2A 77/4885HTR7 26/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A HTR2C 16/4885HTR2A 84/4885HTR7 28/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 HTR2C 24/4885HTR2A 112/4885HTR7 27/4885

“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.