SCHEMBL4249271

SCHEMBL4249271

Cc1cc(OC2CCN(Cc3ccccc3)CC2)c2cc(O)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NCF1 P14598 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
ROCK1 Q13464 2/20 0.45
HTR1D P28221 2/20 0.45
ROCK2 O75116 1/20 0.45
CCR2 P41597 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45
DRD2 P14416 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN9A Q15858 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8104188 0.89 HRH1 (0.47) BCHEACHEHTR1DKCNH2CHEK2
SCHEMBL8094458 0.89 HRH1 (0.49) HTR1DKCNH2OPRK1
SCHEMBL5532963 0.88 NCF1 (0.58) SMN1; SMN2NCF1ROCK1HTR1DROCK2
SCHEMBL8091683 0.88 HTR1D (0.51) SMN1; SMN2NCF1HTR1DHTR1AHTR1B
SCHEMBL5532724 0.87 SMN1; SMN2 (0.49) SMN1; SMN2NCF1ROCK1HTR1DROCK2
SCHEMBL13945372 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NCF1ACHEBACE1ROCK1
SCHEMBL5523132 0.86 DNMT3A (0.52) SMN1; SMN2ACHEROCK1HTR1DROCK2
SCHEMBL8088928 0.85 HRH1 (0.48) GRIN1GRIN2BHTR1DHTR1AHTR1B
SCHEMBL8095794 0.85 HRH3 (0.58) SMN1; SMN2NCF1ACHEROCK1HTR1D
SCHEMBL5531973 0.83 HTR1D (0.50) SMN1; SMN2NCF1ROCK1HTR1DROCK2

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 5 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
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
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 SMN1; SMN2 1490/4885NCF1 2626/4885BCHE 2391/4885

“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.