SCHEMBL4186326

SCHEMBL4186326

Cc1ccc2c(N3C[C@@H]4C[C@H]3CN4)cccc2n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.53
CHRNA4 P43681 5/20 0.53
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
SLC6A4 P31645 1/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
KHK P50053 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
SCHEMBL29849717 0.76 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL899503 0.75 BMPR1B (0.50) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3147705 0.73 CYP2C9 (0.49) HTR1AHTR1DHTR1BSLC6A4
SCHEMBL13525140 0.73 CYP2C9 (0.49) HTR1AHTR1DHTR1BSLC6A4
SCHEMBL4178912 0.73 LATS1 (0.47) HTR1AHTR1DHTR1BSLC6A4
SCHEMBL30979278 0.72 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL15286501 0.71 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3137750 0.71 CYP2C9 (0.50) HTR1AHTR1DHTR1BSLC6A4
SCHEMBL2881010 0.71 CYP2C9 (0.50) HTR1AHTR1DHTR1BSLC6A4KHK
SCHEMBL4180251 0.71 CYP2C9 (0.50) HTR1AHTR1DHTR1BSLC6A4KHK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO 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 (2 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX CHRNB2 292/4885CHRNA4 52/4885HTR1A 47/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX CHRNB2 349/4885CHRNA4 146/4885HTR1A 476/4885

“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.