SCHEMBL4176340

SCHEMBL4176340

CCN1C(=O)COc2ccc(CCCl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
SLC6A4 P31645 1/20 0.50
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
SLC5A1 P13866 7/20 0.46
SLC5A2 P31639 7/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMO O15229 1/20 0.44
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 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
SCHEMBL4173618 0.83 HTR1A (0.51) HTR1AHTR1DHTR1BSLC6A4HTT
SCHEMBL13164143 0.83 HTT (0.48) HTR1AHTR1DHTR1BSLC6A4HTT
SCHEMBL10208416 0.83 CYP1A2 (0.49) HTR1AHTR1DHTR1BSLC6A4HTT
SCHEMBL12203796 0.80 USP2 (0.67) HTTUSP2TSHRSLC5A1SLC5A2
SCHEMBL16184461 0.79 HTT (0.51) HTR1AHTR1DHTR1BSLC6A4HTT
SCHEMBL5986135 0.79 TSHR (0.70) HTTTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL17076653 0.77 ATAD2 (0.52) HTR1AHTR1DHTR1BSLC6A4HTT
SCHEMBL13111737 0.77 HTT (0.50) HTTUSP2TSHRKMOPLK1
SCHEMBL5910947 0.76 HTT (0.49) HTTUSP2TSHRCYP1A2CYP3A4
SCHEMBL7092401 0.75 HTR1A (0.51) HTR1AHTR1DHTR1BSLC6A4HTT

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 HTR1A 47/4885HTR1D 75/4885HTR1B 39/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR1A 476/4885HTR1D 569/4885HTR1B 252/4885

“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.