SCHEMBL4169649

SCHEMBL4169649

Cc1ccc2c(N3CCNCC3)ccc(Cl)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
SLC6A4 P31645 1/20 0.46
ADRB1 P08588 5/20 0.45
NCF1 P14598 6/20 0.45
ADRB2 P07550 2/20 0.45
HTR6 P50406 4/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
MTOR P42345 1/20 0.42
HTR3A P46098 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
SCHEMBL2881030 0.83 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4ADRB1
SCHEMBL4180873 0.79 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4NCF1
SCHEMBL5638118 0.76 NCF1 (0.56) HTR1ASLC6A4ADRB1NCF1ADRB2
SCHEMBL2366124 0.75 ADRB1 (0.50) HTR1AHTR1DHTR1BSLC6A4ADRB1
SCHEMBL4185271 0.74 MEN1 (0.44) HTR1AHTR1DHTR1BSLC6A4TSHR
SCHEMBL428165 0.74 NCF1 (0.69) HTR1AHTR1DHTR1BSLC6A4ADRB1
SCHEMBL2881245 0.73 NCF1 (0.60) HTR1AHTR1DHTR1BSLC6A4ADRB1
SCHEMBL4178410 0.72 NCF1 (0.52) HTR1AHTR1DHTR1BSLC6A4ADRB1
SCHEMBL20037562 0.72 ADRB1 (0.48) HTR1AHTR1DHTR1BADRB1NCF1
SCHEMBL30297103 0.72 ADRB1 (0.48) HTR1AHTR1DHTR1BADRB1NCF1

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.