SCHEMBL2797989

SCHEMBL2797989

O=C(O)N(Cc1ccc2c(c1)OCCO2)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
SLC6A3 Q01959 4/20 0.50
KCNH2 Q12809 2/20 0.48
DCUN1D1 Q96GG9 2/20 0.45
UBE2M P61081 1/20 0.45
LMNA P02545 4/20 0.44
TACR1 P25103 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 2/20 0.40

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
SCHEMBL2799447 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2DCUN1D1
SCHEMBL2799450 0.81 UBE2M (0.58) DCUN1D1UBE2MLMNATSHRTHRB
SCHEMBL619732 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2KMT2A
SCHEMBL7491671 0.80 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3KCNH2DCUN1D1
SCHEMBL5036967 0.79 UBE2M (0.52) DCUN1D1UBE2MLMNATHRB
SCHEMBL13131879 0.78 REN (0.60)
SCHEMBL2767755 0.78 KDM4E (0.37) SLC6A2SLC6A4SLC6A3KCNH2DCUN1D1
SCHEMBL3811903 0.77 DCUN1D1 (0.58) SLC6A2SLC6A4SLC6A3KCNH2DCUN1D1
Water SCHEMBL3517045 0.77 KDM4E (0.37) SLC6A2SLC6A4SLC6A3KCNH2DCUN1D1
Hydrochloric Acid SCHEMBL21410210 0.76 DCUN1D1 (0.57) SLC6A2SLC6A4SLC6A3KCNH2DCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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 (4 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 SLC6A2 1703/4885SLC6A4 1947/4885SLC6A3 1009/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 SLC6A2 1759/4885SLC6A4 2832/4885SLC6A3 2246/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 SLC6A2 2606/4885SLC6A4 2442/4885SLC6A3 1623/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 SLC6A2 2827/4885SLC6A4 2394/4885SLC6A3 1522/4885

“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.