SCHEMBL8088919

SCHEMBL8088919

c1ccc(CN2CCC(Oc3c4ccccc4nc4ccccc34)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
ROCK1 Q13464 2/20 0.52
ROCK2 O75116 1/20 0.52
CCR2 P41597 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
SCN9A Q15858 2/20 0.51
KCNH2 Q12809 1/20 0.51
SCN5A Q14524 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NTSR1 P30989 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ACHE P22303 3/20 0.49
CCR3 P51677 1/20 0.48

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
SCHEMBL8097709 0.84 EHMT2 (0.50) HRH3ROCK1ROCK2CCR2SCN9A
SCHEMBL5529585 0.81 SCN9A (0.56) HRH3ROCK1ROCK2CCR2SMN1; SMN2
SCHEMBL5532963 0.80 NCF1 (0.58) HRH3ROCK1ROCK2CCR2SMN1; SMN2
SCHEMBL8095983 0.79 ROCK1 (0.54) HRH3ROCK1ROCK2CCR2SMN1; SMN2
SCHEMBL5527410 0.79 SMN1; SMN2 (0.50) HRH3ROCK1ROCK2CCR2SMN1; SMN2
SCHEMBL14437444 0.79 SCN9A (0.50) HRH3ROCK1ROCK2CCR2SMN1; SMN2
SCHEMBL9463662 0.78 HRH3 (0.56) HRH3ROCK1ROCK2CCR2SMN1; SMN2
SCHEMBL8231326 0.78 SMN1; SMN2 (0.49) HRH3ROCK1ROCK2CCR2SMN1; SMN2
SCHEMBL8103851 0.78 ALOX15 (0.51) HRH3ROCK1ROCK2CCR2SMN1; SMN2
SCHEMBL6708061 0.78 SMN1; SMN2 (0.61) HRH3ROCK1ROCK2CCR2SMN1; SMN2

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 HRH3 1043/4885ROCK1 4531/4885ROCK2 4246/4885

“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.