SCHEMBL2177803

SCHEMBL2177803

CC(=O)c1c(OCCN2CCC(C)CC2)c(OCCC(C)c2ccc(F)cc2)c2oc(C)nc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR1A P08908 5/20 0.35
HTR7 P34969 4/20 0.35
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 4/20 0.33
HTR2A P28223 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
SCHEMBL2178490 0.91 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL12409106 0.91 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR1AALDH1A1
SCHEMBL2178870 0.91 LDHA (0.35) SLC6A2SLC6A4SLC6A3HTR1AHTR7
SCHEMBL2179289 0.91 MEN1 (0.39) HTR1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL12409089 0.90 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR1AHTR7
SCHEMBL2179307 0.89 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTR1AHTR7
SCHEMBL2179602 0.89 DRD2 (0.37) SLC6A2SLC6A4SLC6A3HTR1AHTR7
SCHEMBL2179513 0.89 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTR1AHTR7
SCHEMBL2179633 0.86 DRD2 (0.32) SLC6A2SLC6A4SLC6A3HRH3DRD2
SCHEMBL12409214 0.84 DRD2 (0.32) SLC6A2SLC6A4SLC6A3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US 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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 SLC6A2 1378/4885SLC6A4 1656/4885SLC6A3 650/4885

“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.