SCHEMBL8100326

SCHEMBL8100326

Cc1cc(OC2CCN(Cc3ccccc3)C3CCCCC23)c2cccc(F)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
RORC P51449 1/20 0.34
NCF1 P14598 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
HTR4 Q13639 1/20 0.33
NPY1R P25929 1/20 0.33
HTT P42858 1/20 0.33
NPY2R P49146 1/20 0.33
SLC6A4 P31645 2/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
SCN1A P35498 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
OPRD1 P41143 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL8102228 0.87 FABP3 (0.36) KDM4EHTT
SCHEMBL5526683 0.78 SCN1A (0.50) NCF1KDM4ESCN1ASCN8A
SCHEMBL8085163 0.77 SCN1A (0.47) NCF1SCN1ASCN8A
SCHEMBL4245768 0.71 NPC1 (0.48) HRH3KDM4ESCN1ASCN8A
SCHEMBL13945504 0.71 NCF1 (0.45) HTR1ANCF1SLC6A4HTR1DHTR1B
SCHEMBL4243998 0.70 JAK2 (0.37) HTR1AHRH3KDM4EHTR2CHTR7
SCHEMBL8095680 0.70 PDE4B (0.46) KDM4EHTR2CHTR7HTR2BHTR3A
SCHEMBL4246391 0.70 SCN1A (0.42) HRH3HTR1DSCN1ASCN8A
SCHEMBL5530200 0.70 SMN1; SMN2 (0.50) HTR1ANCF1KDM4EHTR1DHTR1B
SCHEMBL8095861 0.70 KCNH2 (0.41) HTR1AHRH3KDM4EHTR2CHTR7

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 HTR1A 390/4885HRH3 1043/4885RORC 2425/4885

“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.