SCHEMBL4820293

SCHEMBL4820293

Fc1ccc2ccn(CCC3CNC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.49
HTR2C P28335 4/20 0.47
HTR2A P28223 3/20 0.47
P2RX7 Q99572 1/20 0.44
NPY5R Q15761 1/20 0.39
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
HTR1A P08908 1/20 0.35

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 0.87 HTR2C (0.50) HTR7HTR2CHTR2AP2RX7NPY5R
SCHEMBL4824041 0.80 ALDH1A1 (0.46) HTR7P2RX7
SCHEMBL4820405 0.75 HTR2C (0.48) HTR7HTR2CHTR2AP2RX7NPY5R
SCHEMBL8435460 0.73 HTR2C (0.59) HTR7HTR2CHTR2AP2RX7CDK4
SCHEMBL28651148 0.73 HTR2C (0.59) HTR7HTR2CHTR2AP2RX7CDK4
SCHEMBL25310301 0.73 HTR2C (0.55) HTR7HTR2CHTR2AP2RX7CDK4
SCHEMBL30849657 0.72 HTR2C (0.54) HTR7HTR2CHTR2AP2RX7CDK4
SCHEMBL5235415 0.71 HTR2C (0.56) HTR7HTR2CHTR2AP2RX7CDK4
SCHEMBL5635097 0.71 HTR2C (0.53) HTR7HTR2CHTR2AP2RX7CDK4
SCHEMBL8434667 0.71 HTR2C (0.56) HTR7HTR2CHTR2AP2RX7CDK4

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