SCHEMBL5532963

SCHEMBL5532963

Cc1cc(OC2CCN(Cc3ccccc3)CC2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.58
HTR1D P28221 5/20 0.55
HTR1B P28222 4/20 0.55
HTR1A P08908 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ROCK1 Q13464 2/20 0.49
ROCK2 O75116 1/20 0.49
CCR2 P41597 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
GAA P10253 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
EZH2 Q15910 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46

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
SCHEMBL5529815 0.93 NCF1 (0.51) NCF1HTR1DHTR1BHTR1ASMN1; SMN2
SCHEMBL14437441 0.93 NCF1 (0.51) NCF1HTR1DHTR1BHTR1ASMN1; SMN2
SCHEMBL5532956 0.93 MCHR1 (0.53) NCF1HTR1DHTR1BHTR1ASMN1; SMN2
SCHEMBL5529129 0.92 HTR1D (0.52) NCF1HTR1DHTR1BHTR1ASMN1; SMN2
SCHEMBL5531659 0.91 HTR1D (0.57) NCF1HTR1DHTR1BHTR1AROCK1
SCHEMBL8091683 0.90 HTR1D (0.51) NCF1HTR1DHTR1BHTR1ASMN1; SMN2
SCHEMBL13945359 0.90 HTR1D (0.51) NCF1HTR1DHTR1BHTR1ASMN1; SMN2
SCHEMBL14437442 0.90 SCN9A (0.51) NCF1HTR1DHTR1BHTR1ASMN1; SMN2
SCHEMBL5531973 0.90 HTR1D (0.50) NCF1HTR1DHTR1BHTR1ASMN1; SMN2
SCHEMBL5532964 0.90 HRH3 (0.58) NCF1HTR1DHTR1BHTR1ASMN1; 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 4 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
WO-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 NCF1 2805/4885HTR1D 1094/4885HTR1B 677/4885

“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.