SCHEMBL5531709

SCHEMBL5531709

FC(F)(F)c1cccc2c(OC3CCN(C(c4ccccc4)C(F)(F)F)CC3)ccnc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.41
NCF1 P14598 1/20 0.40
AR P10275 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL5524480 0.90 AR (0.37) ARCYP3A4
SCHEMBL5530874 0.90 SCD (0.43) SCDNCF1ARKDM4ELMNA
SCHEMBL5521962 0.89 SCN8A (0.43) SCDNCF1AR
SCHEMBL8238859 0.86 AR (0.35) SCDAR
SCHEMBL5528104 0.85 HRH3 (0.45) SCDNCF1ARCYP3A4CYP2D6
SCHEMBL5530556 0.84 TTR (0.40) SCDKDM4ELMNAMAPTNPSR1
SCHEMBL5532330 0.80 HRH3 (0.48) SCDNCF1ARCYP3A4CYP2D6
SCHEMBL5521993 0.80 NCF1 (0.46) SCDNCF1ARKDM4ELMNA
SCHEMBL5532313 0.78 NCF1 (0.42) SCDNCF1AR
SCHEMBL5529926 0.78 NCF1 (0.44) SCDNCF1ARPDE10A

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 SCD 1710/4885NCF1 2805/4885AR 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.