SCHEMBL5523116

SCHEMBL5523116

Cc1cc(OC2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
SCN1A P35498 5/20 0.47
SCN8A Q9UQD0 5/20 0.47
MCHR1 Q99705 2/20 0.46
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
CCR2 P41597 1/20 0.45
NCF1 P14598 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GAA P10253 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
OPRK1 P41145 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 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
SCHEMBL5530200 0.90 SMN1; SMN2 (0.50) SMN1; SMN2SCN1ASCN8AMCHR1ROCK1
SCHEMBL8094318 0.88 SMN1; SMN2 (0.51) SMN1; SMN2SCN1ASCN8AMCHR1
SCHEMBL5531752 0.88 SMN1; SMN2 (0.48) SMN1; SMN2SCN1ASCN8AMCHR1ROCK1
SCHEMBL5526683 0.88 SCN1A (0.50) SMN1; SMN2SCN1ASCN8AMCHR1ROCK1
SCHEMBL5532963 0.85 NCF1 (0.58) SMN1; SMN2ROCK1ROCK2CCR2NCF1
SCHEMBL8085163 0.85 SCN1A (0.47) SMN1; SMN2SCN1ASCN8AMCHR1ROCK1
SCHEMBL5529815 0.82 NCF1 (0.51) SMN1; SMN2ROCK1ROCK2CCR2NCF1
SCHEMBL4245768 0.81 NPC1 (0.48) SMN1; SMN2SCN1ASCN8AROCK1ROCK2
SCHEMBL5531973 0.81 HTR1D (0.50) SMN1; SMN2ROCK1ROCK2CCR2NCF1
SCHEMBL4246391 0.80 SCN1A (0.42) SMN1; SMN2SCN1ASCN8AGAAHTR1D

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 SMN1; SMN2 1321/4885SCN1A 89/4885SCN8A 103/4885

“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.