SCHEMBL8095983

SCHEMBL8095983

c1ccc(CN2CCC(Oc3ccnc4ccccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
ACHE P22303 4/20 0.50
SCN9A Q15858 3/20 0.50
KCNH2 Q12809 1/20 0.50
SCN5A Q14524 1/20 0.50
IDO1 P14902 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
ROCK2 O75116 1/20 0.46
CCR2 P41597 1/20 0.46
KDM1A O60341 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SCN1A P35498 1/20 0.45

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
SCHEMBL5530900 0.87 ROCK1 (0.54) ROCK1SMN1; SMN2SCN9AKCNH2SCN5A
SCHEMBL5530268 0.84 ROCK1 (0.51) ROCK1SMN1; SMN2ACHESCN9AKCNH2
SCHEMBL5532963 0.81 NCF1 (0.58) ROCK1SMN1; SMN2SCN9AKCNH2SCN5A
SCHEMBL5527410 0.80 SMN1; SMN2 (0.50) ROCK1SMN1; SMN2HRH3ROCK2CCR2
SCHEMBL11075146 0.80 SMN1; SMN2 (0.62) SMN1; SMN2ACHEHRH3GAA
SCHEMBL8088919 0.79 HRH3 (0.52) ROCK1SMN1; SMN2ACHESCN9AKCNH2
SCHEMBL6708061 0.79 SMN1; SMN2 (0.61) ROCK1SMN1; SMN2HRH3GAAROCK2
SCHEMBL8103851 0.79 ALOX15 (0.51) ROCK1SMN1; SMN2ACHEHRH3ROCK2
SCHEMBL8231326 0.79 SMN1; SMN2 (0.49) ROCK1SMN1; SMN2SCN9AKCNH2SCN5A
Hydrochloric Acid SCHEMBL11066381 0.79 SMN1; SMN2 (0.64) SMN1; SMN2ACHEGAA

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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 WO 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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS TRPV1, TRPV2, TRPA1 ROCK1 4531/4885SMN1; SMN2 1490/4885ACHE 274/4885

“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.