SCHEMBL8102253

SCHEMBL8102253

COc1cccc(CN2CCC(Oc3cc(C)nc4c(F)cccc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD4 P21917 1/20 0.45
MCHR1 Q99705 1/20 0.45
SCN1A P35498 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
PHGDH O43175 1/20 0.43
GAA P10253 1/20 0.43
MAOB P27338 1/20 0.43
HTR6 P50406 1/20 0.43
PDE2A O00408 1/20 0.43

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
SCHEMBL8097670 0.93 CCR3 (0.43) HTR1AHTR1DHTR1BDRD4MCHR1
SCHEMBL8100160 0.91 HTR1A (0.45) HTR1AHTR1DHTR1BSIGMAR1DRD4
SCHEMBL5526683 0.89 SCN1A (0.50) KDM4EMCHR1SCN1ASCN8AGAA
SCHEMBL13945393 0.88 ADRB2 (0.51) KDM4EALDH1A1MCHR1GAAPDE2A
SCHEMBL8104062 0.88 ACHE (0.48) HTR1DMCHR1SCN1ASCN8A
SCHEMBL8085163 0.86 SCN1A (0.47) DRD4MCHR1SCN1ASCN8AMAOB
SCHEMBL13945348 0.85 HTR1D (0.61) HTR1AHTR1DHTR1BKDM4EALDH1A1
SCHEMBL8095861 0.85 KCNH2 (0.41) HTR1AHTR1DKDM4EALDH1A1SCN1A
SCHEMBL13945322 0.85 SCN9A (0.46) KDM4EALDH1A1DRD4SCN1ASCN8A
SCHEMBL4246391 0.85 SCN1A (0.42) HTR1DDRD4SCN1ASCN8AGAA

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 390/4885HTR1D 483/4885HTR1B 354/4885

“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.