SCHEMBL4179650

SCHEMBL4179650

Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@@H](C)C3)cccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
HTR1D P28221 20/20 1.00
SLC6A4 P31645 20/20 1.00
HTR1B P28222 18/20 1.00
KCNH2 Q12809 18/20 1.00

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
SCHEMBL4174506 1.00 HTR1A (1.00) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL6515828 1.00 HTR1A (1.00) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL4176346 0.99 HTR1A (0.98) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL4182250 0.86 HTR1D (1.00) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL4182287 0.85 HTR1D (0.98) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL10212145 0.84 HTR1A (0.76) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL431744 0.84 HTR1A (0.75) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL10212447 0.84 HTR1A (0.77) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL432604 0.83 HTR1A (0.75) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL430808 0.82 HTR1A (0.70) HTR1AHTR1DSLC6A4HTR1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 HTR1A 47/4885HTR1D 75/4885SLC6A4 189/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR1A 476/4885HTR1D 569/4885SLC6A4 416/4885

“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.