SCHEMBL3367036

SCHEMBL3367036

CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCN(C(CO)COCc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HSD11B1 P28845 1/20 0.38
NR1H4 Q96RI1 1/20 0.35
UBE2M P61081 6/20 0.35
DCUN1D1 Q96GG9 6/20 0.35
CCR5 P51681 2/20 0.34
LNPEP Q9UIQ6 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
KDM4D Q6B0I6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3328621 0.93 HSD11B1 (0.37) HTR2CSLC6A4HSD11B1NR1H4UBE2M
SCHEMBL3329038 0.90 LNPEP (0.37) UBE2MDCUN1D1LNPEPLMNATSHR
SCHEMBL3327472 0.88 HSD11B1 (0.37) HTR2CSLC6A4HSD11B1NR1H4UBE2M
SCHEMBL5747485 0.84 HSD11B1 (0.45) HSD11B1NR1H4LNPEPNPSR1RAB9A
SCHEMBL13167708 0.83 LMNA (0.46) HSD11B1UBE2MDCUN1D1LMNA
SCHEMBL19470003 0.82 KCNH2 (0.33) HTR2CSLC6A4HSD11B1NR1H4
SCHEMBL3367039 0.82 LMNA (0.34) HTR2CSLC6A4UBE2MDCUN1D1LNPEP
SCHEMBL10313823 0.79 HSD11B1 (0.41) HTR2CSLC6A4HSD11B1NR1H4UBE2M
SCHEMBL11999874 0.78 HSD11B1 (0.38) HSD11B1NR1H4UBE2MDCUN1D1LMNA
SCHEMBL2799351 0.76 PIK3CA (0.37) HTR2CHSD11B1NR1H4LMNAKDM4D

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-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
EP-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 EP disclosed
EP-2137196-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 HTR2C 587/4885SLC6A4 603/4885HSD11B1 1302/4885

“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.