SCHEMBL5577895

SCHEMBL5577895

O=C(NCc1ccccc1N1CCCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.53
DRD3 P35462 9/20 0.53
DRD4 P21917 7/20 0.53
SCN2A Q99250 2/20 0.52
SCN10A Q9Y5Y9 2/20 0.52
MCHR1 Q99705 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
HTR1A P08908 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL5577844 0.85 SCN10A (0.56) SCN2ASCN10AMCHR1CYP2D6CHRM1
SCHEMBL5577320 0.85 DRD2 (0.58) DRD2DRD3DRD4SCN2ASCN10A
SCHEMBL5577580 0.84 MAPT (0.62) DRD2DRD3DRD4MCHR1CYP2D6
SCHEMBL5577826 0.83 MT-CO2 (0.49) DRD2DRD3HTR2AHTR1A
SCHEMBL5577719 0.82 CHRM3 (0.55) DRD2DRD3DRD4MCHR1CYP2D6
SCHEMBL5577645 0.81 SCN10A (0.54) SCN2ASCN10AMCHR1
SCHEMBL5577730 0.80 CCR1 (0.48) DRD2DRD3DRD4MCHR1
SCHEMBL5577657 0.80 GNRHR (0.45) DRD2DRD3DRD4SCN2ASCN10A
SCHEMBL5577434 0.80 MAPK1 (0.51) DRD2DRD3DRD4
SCHEMBL5577433 0.80 DRD2 (0.53) DRD2DRD3DRD4HTR2AHTR1A

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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 (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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C DRD2 4468/4885DRD3 4080/4885DRD4 4092/4885

“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.