SCHEMBL5865015

SCHEMBL5865015

Nc1ccc(OC2CCN(Cc3cccnc3)CC2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 9/20 0.59
ACHE P22303 1/20 0.49
SCN9A Q15858 1/20 0.48
HTR4 Q13639 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
SCN1A P35498 7/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
ROCK1 Q13464 2/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
ROCK2 O75116 1/20 0.43
CCR2 P41597 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43

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
SCHEMBL5864862 0.87 SMN1; SMN2 (0.54) SCN8ASIGMAR1SCN1AROCK1ROCK2
SCHEMBL5865032 0.83 SCN8A (0.59) SCN8AACHESCN9ASIGMAR1SCN1A
SCHEMBL5864926 0.81 TRPV6 (0.42) SCN8ACHRNB2CHRNA4TRPV6
SCHEMBL8395893 0.78 TRPV6 (0.61) SCN9ASIGMAR1CHRNB2CHRNA4ROCK1
SCHEMBL5864786 0.77 SCN1A (0.55) SCN8AACHESIGMAR1SCN1ADRD2
SCHEMBL12193268 0.77 ROCK1 (0.54) SCN8ASCN9ACHRNB2CHRNA4ROCK1
SCHEMBL5864782 0.76 HRH3 (0.48) SCN8AHTR4SCN1A
SCHEMBL19634251 0.76 SCN8A (0.69) SCN8ASCN1A
SCHEMBL27618840 0.76 CHRNB2 (0.62) SCN9ASIGMAR1CHRNB2CHRNA4DRD2
SCHEMBL19612881 0.75 SCN8A (1.00) SCN8ASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 SCN8A 763/4885ACHE 1254/4885SCN9A 357/4885

“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.