SCHEMBL8096663

SCHEMBL8096663

Cc1cc(OC2CCN(Cc3ccc(O)c(C(=O)O)c3)CC2)c2cccc(F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.43
HTR1D P28221 3/20 0.41
SCN1A P35498 3/20 0.40
SCN8A Q9UQD0 3/20 0.40
HRH2 P25021 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
HTR1B P28222 2/20 0.38
CCR3 P51677 1/20 0.38
HTR1A P08908 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
SCHEMBL13945353 0.86 S1PR5 (0.43) ENPP2SCN1ASCN8AKDM4EALDH1A1
SCHEMBL4246391 0.86 SCN1A (0.42) ENPP2HTR1DSCN1ASCN8APOLB
SCHEMBL8091662 0.85 HRH1 (0.47) SCN1ASCN8AHRH2ALDH1A1CCR3
SCHEMBL5526683 0.85 SCN1A (0.50) SCN1ASCN8AKDM4E
SCHEMBL8104062 0.83 ACHE (0.48) ENPP2HTR1DSCN1ASCN8ACCR3
SCHEMBL8085163 0.81 SCN1A (0.47) SCN1ASCN8A
SCHEMBL8100160 0.81 HTR1A (0.45) HTR1DSCN1ASCN8APOLBHTR1B
SCHEMBL13945444 0.81 S1PR5 (0.39) ALDH1A1POLB
SCHEMBL8097670 0.81 CCR3 (0.43) ENPP2HTR1DPOLBHTR1BCCR3
SCHEMBL8095861 0.81 KCNH2 (0.41) HTR1DSCN1ASCN8AKDM4EALDH1A1

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 ENPP2 496/4885HTR1D 483/4885SCN1A 105/4885

“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.