SCHEMBL4179972

SCHEMBL4179972

O=C1COc2ccc(CCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc2N1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.60
DRD2 P14416 5/20 0.60
HTR2A P28223 3/20 0.60
SLC6A4 P31645 8/20 0.52
HTR1D P28221 4/20 0.51
HTR1B P28222 4/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 2/20 0.51
NR3C2 P08235 1/20 0.50
PARP1 P09874 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
DRD4 P21917 1/20 0.48

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
SCHEMBL2303617 0.87 HTR1A (0.52) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL531687 0.82 DRD2 (0.66) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL22491520 0.80 MGLL (0.57) HTR1AHTR1DHTR1BNR3C2
SCHEMBL29734499 0.80 MGLL (0.57) HTR1AHTR1DHTR1BNR3C2
SCHEMBL7529023 0.77 HTR1A (0.64) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL532718 0.77 PARP1 (0.80) HTR1ADRD2HTR2ASLC6A4HTR1D
Hydrochloric Acid SCHEMBL9030489 0.76 HTR1A (0.63) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL532067 0.75 DRD2 (0.66) HTR1ADRD2HTR2ASLC6A4HTR1D
Hydrochloric Acid SCHEMBL9048212 0.75 OPRM1 (0.57) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL532657 0.75 DRD2 (0.81) HTR1ADRD2HTR2ASLC6A4HTR1D

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 3 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

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 47/4885DRD2 251/4885HTR2A 87/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR1A 476/4885DRD2 574/4885HTR2A 463/4885

“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.