SCHEMBL5577657

SCHEMBL5577657

CC1CN(c2ccccc2CNC(=O)c2ccc(Cl)cc2)CCN1Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.45
SCN2A Q99250 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
DRD2 P14416 6/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 3/20 0.43
CXCR3 P49682 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HTR1A P08908 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 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
SCHEMBL5577871 0.86 DRD2 (0.48) DRD2DRD4DRD3LMNAGAA
SCHEMBL5577584 0.86 SCN10A (0.47) GNRHRSCN2ASCN10ACXCR3TP53
SCHEMBL5577570 0.85 SMN1; SMN2 (0.53) LMNAMAPTPOLB
SCHEMBL5577489 0.84 MT-CO2 (0.48) GNRHRDRD2DRD3LMNAHTR1A
SCHEMBL5577851 0.83 CHRM3 (0.46) CXCR3LMNAMAPTTP53POLB
SCHEMBL5577730 0.82 CCR1 (0.48) GNRHRDRD2DRD4DRD3CXCR3
SCHEMBL5577895 0.80 DRD2 (0.53) SCN2ASCN10ADRD2DRD4DRD3
SCHEMBL5577898 0.80 CXCR3 (0.48) DRD2DRD4CXCR3MAPTTP53
SCHEMBL5577304 0.80 CXCR3 (0.46) CXCR3
SCHEMBL5577938 0.79 CXCR3 (0.44) CXCR3MAPT

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 GNRHR 3302/4885SCN2A 3455/4885SCN10A 3595/4885

“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.