SCHEMBL4183887

SCHEMBL4183887

CC1(C)Cc2cccc(N3CCN(C(=O)O)CC3)c2O1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
SLC6A4 P31645 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 5/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9048470 0.84 HTR1A (0.53) SMN1; SMN2POLBHTR1AHTR1DHTR1B
SCHEMBL4180899 0.79 HTR6 (0.49) SMN1; SMN2POLBHTR1AHTR1DHTR1B
SCHEMBL27237957 0.75 PARP1 (0.48) HTR1ALMNAALDH1A1
SCHEMBL5368726 0.74 MAPT (0.45) SMN1; SMN2POLBTSHRLMNAALDH1A1
SCHEMBL5040087 0.73 CCR8 (0.68) TSHRALDH1A1
SCHEMBL27237954 0.73 HTR1A (0.48) SMN1; SMN2HTR1ANPSR1TSHRALDH1A1
SCHEMBL27973682 0.73 ALDH1A1 (0.37) SMN1; SMN2POLBNPSR1TSHRLMNA
SCHEMBL8155813 0.72 DRD2 (0.52) HTR1AHTR1DHTR1BSLC6A4NPSR1
SCHEMBL783714 0.72 LMNA (0.59) POLBNPSR1TSHRLMNAALDH1A1
SCHEMBL27237941 0.71 KDM4E (0.40) SMN1; SMN2NPSR1TSHRLMNAALDH1A1

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 SMN1; SMN2 1090/4885POLB 3219/4885HTR1A 47/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX SMN1; SMN2 336/4885POLB 3202/4885HTR1A 476/4885

“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.