SCHEMBL4826353

SCHEMBL4826353

Fc1ccc2ccn(CC3CNC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.50
HTR2A P28223 2/20 0.50
HTR7 P34969 2/20 0.46
NPY5R Q15761 1/20 0.41
P2RX7 Q99572 1/20 0.41
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
KDM1A O60341 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
FABP4 P15090 1/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
ROCK1 Q13464 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
SCHEMBL4820293 0.87 HTR7 (0.49) HTR2CHTR2AHTR7NPY5RP2RX7
SCHEMBL4820405 0.85 HTR2C (0.48) HTR2CHTR2AHTR7NPY5RP2RX7
SCHEMBL14064208 0.78 CDK4 (0.57) HTR2CHTR2ACDK4CCND1
SCHEMBL30437542 0.78 HTR2C (0.53) HTR2CHTR2AHTR7NPY5RP2RX7
SCHEMBL25766345 0.74 SCD (0.43) HTR2CHTR2AHTR7CHRNB2CHRNB4
SCHEMBL5562736 0.74 HTR2C (0.49) HTR2CHTR2AHTR7NPY5RP2RX7
SCHEMBL12605578 0.73 HTR2C (0.63) HTR2CHTR2AHTR7P2RX7CDC7
SCHEMBL4821830 0.73 P2RX7 (0.61) HTR2CHTR2AHTR7NPY5RP2RX7
SCHEMBL5409186 0.70 HTR2C (0.38) HTR2CHTR2AHTR7NPY5RP2RX7
SCHEMBL25310301 0.70 HTR2C (0.55) HTR2CHTR2AHTR7P2RX7CDK4

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 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.