SCHEMBL5532330

SCHEMBL5532330

FC(F)(F)c1cccc2c(OC3CCN(C4CC4)CC3)ccnc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
KCNH2 Q12809 1/20 0.48
NCF1 P14598 1/20 0.46
SCD O00767 9/20 0.44
AR P10275 3/20 0.44
SLC2A1 P11166 1/20 0.39
HTR1A P08908 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL5521993 0.86 NCF1 (0.46) HRH3KCNH2NCF1SCDAR
SCHEMBL5528104 0.85 HRH3 (0.45) HRH3NCF1SCDARSLC2A1
SCHEMBL5524449 0.84 HRH3 (0.47) HRH3KCNH2ARHTR1A
SCHEMBL5529926 0.84 NCF1 (0.44) NCF1SCDARSLC2A1
SCHEMBL5527506 0.83 NCF1 (0.43) NCF1SCDARSLC2A1
SCHEMBL5532313 0.82 NCF1 (0.42) HRH3KCNH2NCF1SCDAR
SCHEMBL5527397 0.82 HRH3 (0.52) HRH3KCNH2SCDSLC2A1HTR1A
SCHEMBL5530874 0.81 SCD (0.43) NCF1SCDARCYP3A4CYP2D6
SCHEMBL8237836 0.81 AR (0.40) HRH3KCNH2AR
SCHEMBL5527453 0.81 NCF1 (0.41) NCF1SCDARSLC2A1

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-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

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 HRH3 1454/4885KCNH2 10/4885NCF1 2805/4885

“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.