SCHEMBL5656040

SCHEMBL5656040

O=C(O)C1CCN(CCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 1/20 0.52
SIGMAR1 Q99720 2/20 0.50
ALDH1A1 P00352 3/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL5657151 0.92 SLC6A4 (0.50) MEN1KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL20689718 0.82 ADRA1D (0.65) SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL5774489 0.82 TSHR (0.57) KMT2AKDM4EMAPK1ALDH1A1ADRA1D
SCHEMBL6265377 0.82 HTR1A (0.52) ADRA1DADRA1AADRA1BCYP3A4
SCHEMBL4528485 0.80 ALDH1A1 (0.65) MEN1KMT2AKDM4EHPGDSIGMAR1
SCHEMBL6802893 0.79 HRH3 (0.50) MEN1KMT2AKDM4EMAPK1ADRA1D
SCHEMBL11698547 0.79 DPP7 (0.67) HPGDSIGMAR1ALDH1A1ADRA1DADRA1A
SCHEMBL5750195 0.79 ADRA1D (0.48) KMT2AHPGDALDH1A1ADRA1DADRA1A
SCHEMBL5658401 0.78 HTR1A (0.58)
SCHEMBL11261146 0.78 DPP7 (0.65) KMT2AHPGDSIGMAR1ALDH1A1ADRA1D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US claimed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP claimed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US claimed
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US disclosed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP disclosed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US disclosed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP disclosed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 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-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials NRDC, NUCB2, ASNS MEN1 2999/4885KMT2A 4755/4885KDM4E 4040/4885

“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.