SCHEMBL8094650

SCHEMBL8094650

Cc1cc(OC2CCN(Cc3ccccc3C(=O)NCCCC(=O)OCc3ccccc3)CC2)c2cccc(F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
DRD4 P21917 4/20 0.37
SCN1A P35498 2/20 0.37
SCN8A Q9UQD0 2/20 0.37
CHRM4 P08173 3/20 0.37
SLC6A5 Q9Y345 1/20 0.37
AR P10275 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 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
SCHEMBL8091662 0.82 HRH1 (0.47) DRD4SCN1ASCN8AARHRH1
SCHEMBL13945410 0.80 MEN1 (0.39) LMNADRD4ARHRH1CCR3
SCHEMBL8102223 0.78 LMNA (0.40) LMNADRD4KMT2AMEN1
SCHEMBL13968360 0.78 OPRL1 (0.42) DRD4ARHRH1CCR3KMT2A
SCHEMBL5526683 0.77 SCN1A (0.50) SCN1ASCN8A
SCHEMBL8095680 0.77 PDE4B (0.46) SCN1ASCN8ACYP2D6KMT2AMEN1
SCHEMBL13945459 0.76 ALDH1A1 (0.47) LMNADRD4CHRM4HRH1CCR3
SCHEMBL8097090 0.75 DRD4 (0.37) OPRM1DRD4SCN1ASCN8AAR
SCHEMBL13945353 0.75 S1PR5 (0.43) SCN1ASCN8AAR
SCHEMBL8096663 0.74 ENPP2 (0.43) SCN1ASCN8ACCR3

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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS TRPV1, TRPV2, TRPA1 LMNA 2848/4885OPRM1 191/4885OPRD1 171/4885

“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.