SCHEMBL910104

SCHEMBL910104

COc1ccc2c(n1)N(CCC1CO1)C(=O)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
HTR2C P28335 5/20 0.34
HTR2A P28223 3/20 0.34
HTR2B P41595 1/20 0.34
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
DRD2 P14416 3/20 0.33
HTR1A P08908 2/20 0.33
BRD4 O60885 4/20 0.33
RIPK1 Q13546 1/20 0.33
MIF P14174 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1F P30939 1/20 0.31
DRD3 P35462 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL335895 0.88 HTR2C (0.36) GPR84HTR2CHTR2AHTR2BMTNR1A
SCHEMBL335894 0.88 HTR2C (0.36) GPR84HTR2CHTR2AHTR2BMTNR1A
SCHEMBL3332876 0.88 HTR2C (0.36) GPR84HTR2CHTR2AHTR2BMTNR1A
SCHEMBL910245 0.78 BRD4 (0.34) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL910488 0.75 ALDH1A1 (0.38) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL3327481 0.72 HTR2C (0.34) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL17983057 0.71 TP53 (0.41) MIFALDH1A1HTTCASP3CASP7
SCHEMBL1315539 0.69 HTR2A (0.34) HTR2CHTR2AHTR2BALDH1A1HTT
SCHEMBL1315537 0.69 HTR2A (0.34) HTR2CHTR2AHTR2BALDH1A1HTT
SCHEMBL910261 0.67 CYP2C19 (0.33) ALDH1A1HTT

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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
EP-2238138-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 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 (1 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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 GPR84 2712/4885HTR2C 1679/4885HTR2A 1519/4885

“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.