SCHEMBL5864862

SCHEMBL5864862

Nc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
OPRK1 P41145 1/20 0.53
SCN8A Q9UQD0 6/20 0.52
SCN1A P35498 5/20 0.52
HRH3 Q9Y5N1 2/20 0.52
ROCK1 Q13464 2/20 0.52
GAA P10253 1/20 0.51
ROCK2 O75116 1/20 0.49
CCR2 P41597 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
UTS2R Q9UKP6 1/20 0.48
MCHR1 Q99705 2/20 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
SCHEMBL5864786 0.89 SCN1A (0.55) SCN8ASCN1AGAASIGMAR1
SCHEMBL5865015 0.87 SCN8A (0.59) SCN8ASCN1AROCK1ROCK2CCR2
SCHEMBL21306436 0.85 SMN1; SMN2 (0.55) SMN1; SMN2OPRK1HRH3ROCK1GAA
SCHEMBL4119205 0.84 SMN1; SMN2 (0.65) SMN1; SMN2OPRK1HRH3GAASIGMAR1
SCHEMBL5858933 0.83 HRH3 (0.60) SMN1; SMN2OPRK1HRH3ROCK1GAA
SCHEMBL5864782 0.83 HRH3 (0.48) SMN1; SMN2SCN8ASCN1AHRH3GAA
SCHEMBL5864969 0.82 ALDH1A1 (0.43) SMN1; SMN2HRH3GAA
SCHEMBL12226765 0.81 UTS2R (0.69) OPRK1SIGMAR1UTS2RMCHR1
SCHEMBL3022526 0.81 HRH3 (0.71) SMN1; SMN2OPRK1HRH3ROCK1GAA
SCHEMBL13676235 0.80 OPRK1 (0.70) SMN1; SMN2OPRK1HRH3ROCK1GAA

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 SMN1; SMN2 4174/4885OPRK1 1490/4885SCN8A 763/4885

“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.