SCHEMBL910488

SCHEMBL910488

COc1ccc2c(n1)N(CCC(O)CO)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
HTR2C P28335 5/20 0.33
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
RIPK1 Q13546 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 1/20 0.32
CASP3 P42574 3/20 0.32
CASP7 P55210 3/20 0.32
BRD4 O60885 1/20 0.31
GAA P10253 1/20 0.30
HTR1A P08908 2/20 0.30
DRD2 P14416 1/20 0.30
USP1 O94782 1/20 0.30

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
SCHEMBL3327481 0.88 HTR2C (0.34) ALDH1A1HTTPOLBHTR2CMTNR1A
SCHEMBL910261 0.81 CYP2C19 (0.33) ALDH1A1HTTPOLB
SCHEMBL910245 0.77 BRD4 (0.34) ALDH1A1HTTPOLBHTR2CMTNR1A
SCHEMBL909767 0.76 CYP2D6 (0.33) HTR2CMTNR1AMTNR1BRIPK1HTR1A
SCHEMBL910104 0.75 GPR84 (0.35) ALDH1A1HTTHTR2CMTNR1AMTNR1B
SCHEMBL335895 0.72 HTR2C (0.36) HTR2CMTNR1AMTNR1BRIPK1HTR2A
SCHEMBL3332876 0.72 HTR2C (0.36) HTR2CMTNR1AMTNR1BRIPK1HTR2A
SCHEMBL335894 0.72 HTR2C (0.36) HTR2CMTNR1AMTNR1BRIPK1HTR2A
SCHEMBL3328929 0.71 CHRM1 (0.42) HTR2CMTNR1AMTNR1BRIPK1
SCHEMBL3333076 0.71 CHRM1 (0.42) HTR2CMTNR1AMTNR1BRIPK1

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 ALDH1A1 4501/4885HTT 1223/4885POLB 592/4885

“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.