SCHEMBL910245

SCHEMBL910245

C=CCCN1C(=O)CCc2ccc(OC)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.34
HTR2C P28335 4/20 0.33
HTR2A P28223 2/20 0.33
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
HTR2B P41595 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
GAA P10253 1/20 0.32
PDE4B Q07343 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
RIPK1 Q13546 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
USP1 O94782 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
SCHEMBL910104 0.78 GPR84 (0.35) BRD4HTR2CHTR2AHTR2BALDH1A1
SCHEMBL910488 0.77 ALDH1A1 (0.38) BRD4HTR2CHTR2AHTR2BALDH1A1
SCHEMBL21671864 0.76 DRD2 (0.33) DRD2
SCHEMBL335895 0.75 HTR2C (0.36) BRD4HTR2CHTR2AHTR2BMTNR1A
SCHEMBL3332876 0.75 HTR2C (0.36) BRD4HTR2CHTR2AHTR2BMTNR1A
SCHEMBL335894 0.75 HTR2C (0.36) BRD4HTR2CHTR2AHTR2BMTNR1A
SCHEMBL3327481 0.74 HTR2C (0.34) HTR2CHTR2AHTR2BALDH1A1HTT
SCHEMBL19277204 0.69 FAAH (0.42) ALDH1A1POLB
SCHEMBL910261 0.69 CYP2C19 (0.33) ALDH1A1HTTPOLB
SCHEMBL17633031 0.63 MEN1 (0.47) ALDH1A1GAAMAPTPOLBDRD2

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 BRD4 1311/4885HTR2C 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.