SCHEMBL5521993

SCHEMBL5521993

CC(C)(C)N1CCC(Oc2ccnc3c(C(F)(F)F)cccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
SCD O00767 9/20 0.44
AR P10275 3/20 0.44
SLC2A1 P11166 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
RBP4 P02753 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL5532330 0.86 HRH3 (0.48) NCF1SCDARSLC2A1CYP3A4
SCHEMBL5529940 0.86 AR (0.40) ARKCNH2
SCHEMBL5527506 0.85 NCF1 (0.43) NCF1SCDARSLC2A1RBP4
SCHEMBL5528104 0.85 HRH3 (0.45) NCF1SCDARSLC2A1CYP3A4
SCHEMBL5529926 0.84 NCF1 (0.44) NCF1SCDARSLC2A1PDE10A
SCHEMBL8235688 0.84 AR (0.39) ARCYP3A4
SCHEMBL5532313 0.82 NCF1 (0.42) NCF1SCDARSLC2A1KCNH2
SCHEMBL5530620 0.82 KCNH2 (0.41) SCDSLC2A1RBP4KCNH2HRH3
SCHEMBL5530874 0.81 SCD (0.43) NCF1SCDARCYP3A4CYP2D6
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 NCF1 2805/4885SCD 1710/4885AR 4698/4885

“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.