SCHEMBL4176462

SCHEMBL4176462

Cc1ccc2c(N3CCCNCC3)cccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.72
ADRB1 P08588 4/20 0.63
ADRB2 P07550 3/20 0.63
CYP2C9 P11712 3/20 0.54
HTR1A P08908 7/20 0.50
HTR1D P28221 7/20 0.50
HTR1B P28222 7/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
HTR2A P28223 2/20 0.50
HTR7 P34969 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MTOR P42345 1/20 0.50
HTR3A P46098 1/20 0.50
HTR5A P47898 1/20 0.50
HTR6 P50406 1/20 0.50
HTR3D Q70Z44 1/20 0.50

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
SCHEMBL428165 0.94 NCF1 (0.69) NCF1ADRB1ADRB2CYP2C9HTR1A
SCHEMBL10516997 0.87 NCF1 (0.65) NCF1ADRB1ADRB2CYP2C9HTR1A
SCHEMBL28139077 0.86 NCF1 (0.68) NCF1ADRB1ADRB2CYP2C9HTR1A
SCHEMBL4181655 0.83 NCF1 (0.60) NCF1ADRB1ADRB2HTR1AHTR1D
SCHEMBL13525141 0.79 CYP2C9 (0.67) NCF1CYP2C9HTR1AHTR1DHTR1B
SCHEMBL6066286 0.79 CYP2C9 (0.60) NCF1ADRB1ADRB2CYP2C9HTR1A
SCHEMBL429083 0.77 CYP2C9 (0.50) NCF1ADRB1ADRB2CYP2C9HTR1A
SCHEMBL2881010 0.77 CYP2C9 (0.50) NCF1ADRB1ADRB2CYP2C9HTR1A
SCHEMBL4180251 0.77 CYP2C9 (0.50) NCF1ADRB1ADRB2CYP2C9HTR1A
SCHEMBL899675 0.77 NCF1 (1.00) NCF1ADRB1ADRB2TSHRHTR6

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 NCF1 3910/4885ADRB1 359/4885ADRB2 456/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX NCF1 3681/4885ADRB1 1042/4885ADRB2 1020/4885

“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.