SCHEMBL8094627

SCHEMBL8094627

Cc1cc(OC2CCN(Cc3ccccc3)CC2)c2cc(-c3nnn[nH]3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.44
ROCK1 Q13464 2/20 0.43
ROCK2 O75116 1/20 0.43
CCR2 P41597 1/20 0.43
NCF1 P14598 1/20 0.43
HTR1D P28221 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
EHMT2 Q96KQ7 2/20 0.39
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL8094309 0.89 HTR1D (0.43) CHEK2ROCK1ROCK2CCR2HTR1D
SCHEMBL8096247 0.88 HTR1D (0.45) ROCK1ROCK2CCR2HTR1DSMN1; SMN2
SCHEMBL8096594 0.82 HTR1D (0.40) ROCK1ROCK2CCR2NCF1HTR1D
SCHEMBL8087949 0.81 SCN1A (0.45) CHEK2ROCK1ROCK2CCR2NCF1
SCHEMBL5532963 0.80 NCF1 (0.58) ROCK1ROCK2CCR2NCF1HTR1D
SCHEMBL8096925 0.80 HTR1D (0.37) ROCK1ROCK2CCR2NCF1HTR1D
SCHEMBL8087944 0.80 GRIN1 (0.38) CHEK2ROCK1ROCK2CCR2NCF1
SCHEMBL4242109 0.80 CHRM4 (0.40) ROCK1ROCK2CCR2HTR1DSMN1; SMN2
SCHEMBL13945372 0.80 SMN1; SMN2 (0.52) ROCK1ROCK2CCR2NCF1HTR1D
SCHEMBL5532724 0.80 SMN1; SMN2 (0.49) ROCK1ROCK2CCR2NCF1HTR1D

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 CHEK2 4118/4885ROCK1 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.