SCHEMBL5524480

SCHEMBL5524480

Cc1cccc2c(OC3CCN(C(c4ccccc4)C(F)(F)F)CC3)ccnc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.37
SCN1A P35498 3/20 0.36
SCN8A Q9UQD0 3/20 0.36
TIPARP Q7Z3E1 1/20 0.35
MCHR1 Q99705 1/20 0.35
HCRTR2 O43614 4/20 0.35
HCRTR1 O43613 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5531709 0.90 SCD (0.41) ARCYP3A4
SCHEMBL5529479 0.88 SCN1A (0.40) ARSCN1ASCN8AMCHR1HCRTR2
SCHEMBL8238859 0.86 AR (0.35) ARSCN1ASCN8ATIPARPMCHR1
SCHEMBL5528243 0.85 SCN8A (0.48) SCN1ASCN8A
SCHEMBL5532960 0.84 SCN8A (0.38) SCN1ASCN8ATIPARPMCHR1
SCHEMBL5532727 0.82 HRH3 (0.42) ARCYP3A4
SCHEMBL5530874 0.80 SCD (0.43) ARCYP3A4
SCHEMBL5521962 0.79 SCN8A (0.43) ARSCN1ASCN8A
SCHEMBL5529940 0.77 AR (0.40) AR
SCHEMBL5530556 0.77 TTR (0.40) SCN1ASCN8AMCHR1

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 AR 4698/4885SCN1A 89/4885SCN8A 103/4885

“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.