SCHEMBL4178912

SCHEMBL4178912

Cc1ccc2c(N3CCNCC3C)cccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.47
NCF1 P14598 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
SPAST Q9UBP0 1/20 0.44
CYP2C9 P11712 2/20 0.44
HTR1A P08908 6/20 0.43
HTR1D P28221 6/20 0.43
SLC6A4 P31645 5/20 0.43
HTR1B P28222 4/20 0.43
HTR2C P28335 3/20 0.40
KCNH2 Q12809 3/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVR1B P36896 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
HTR2B P41595 1/20 0.40
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39

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 0.78 NCF1 (0.69) NCF1ADRB2ADRB1CYP2C9HTR1A
SCHEMBL6517863 0.74 HTR1A (0.47) NCF1CYP2C9HTR1AHTR1DSLC6A4
SCHEMBL4176462 0.74 NCF1 (0.72) NCF1ADRB2ADRB1CYP2C9HTR1A
SCHEMBL22302991 0.74 ADRB1 (0.57) LATS1ADRB1CYP2C9HTR1AHTR2C
SCHEMBL2877579 0.73 ADRB1 (0.54) LATS1ADRB1HTR1AHTR2CHTR2B
SCHEMBL2877578 0.73 ADRB1 (0.54) LATS1ADRB1HTR1AHTR2CHTR2B
SCHEMBL21268736 0.73 ADRB1 (0.54) LATS1ADRB1HTR1AHTR2CHTR2B
SCHEMBL2881010 0.73 CYP2C9 (0.50) NCF1ADRB2ADRB1CYP2C9HTR1A
SCHEMBL4186326 0.73 CHRNB2 (0.53) HTR1AHTR1DSLC6A4HTR1B
SCHEMBL429083 0.73 CYP2C9 (0.50) NCF1ADRB2ADRB1CYP2C9HTR1A

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 LATS1 4350/4885NCF1 3910/4885ADRB2 456/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX LATS1 4419/4885NCF1 3681/4885ADRB2 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.