SCHEMBL3047808

SCHEMBL3047808

NC(=O)[C@@H]1CCCN1c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.49
FPR2 P25090 1/20 0.49
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
BACE1 P56817 1/20 0.47
DPP4 P27487 1/20 0.46
SYK P43405 2/20 0.46
AR P10275 1/20 0.45
THRB P10828 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
ELANE P08246 2/20 0.43
NR3C2 P08235 1/20 0.43
PIM1 P11309 1/20 0.42
NOTUM Q6P988 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2172455 0.92 SCN9A (0.60) SCN9AFPR2HTR1AHTR7DPP4
Hydrochloric Acid SCHEMBL2169819 0.90 SCN9A (0.59) SCN9AFPR2HTR1AHTR7DPP4
Trifluoroacetic Acid SCHEMBL30850139 0.87 SCN9A (0.43) SCN9AFPR2HTR1AHTR7BACE1
SCHEMBL13723813 0.85 SYK (0.46) SYKARELANEPIM1F10
SCHEMBL17294200 0.85 SYK (0.46) DPP4SYKARELANEPIM1
SCHEMBL77156 0.85 SYK (0.46) SYKARELANEPIM1F10
SCHEMBL15665092 0.84 CNR2 (0.49) SCN9AFPR2BACE1SYKAR
SCHEMBL13284534 0.84 CNR2 (0.49) SCN9AFPR2BACE1SYKAR
SCHEMBL15665470 0.83 ELANE (0.54) SCN9ABACE1DPP4SYKAR
SCHEMBL3347621 0.83 ELANE (0.54) SCN9ABACE1DPP4SYKAR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S SCN9A 138/4885FPR2 4036/4885HTR1A 324/4885

“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.