SCHEMBL8104328

SCHEMBL8104328

Cc1cc(OC2CCN(Cc3ccc(Br)cc3F)CC2)c2cccc(F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.43
OPRM1 P35372 7/20 0.42
ADRA2A P08913 1/20 0.37
MCHR1 Q99705 1/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
ADRB2 P07550 1/20 0.37
PDE4B Q07343 1/20 0.36
GRM2 Q14416 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RET P07949 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN1A P35498 1/20 0.36
SCN8A Q9UQD0 1/20 0.36

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
SCHEMBL8095680 0.89 PDE4B (0.46) PDE2APDE4BALDH1A1SCN1ASCN8A
SCHEMBL8094095 0.89 GRIN1 (0.40) ADRB2PDE4BHRH3ALDH1A1TDP1
SCHEMBL13945393 0.88 ADRB2 (0.51) PDE2AMCHR1ADRB2PDE4BHRH3
SCHEMBL8095861 0.85 KCNH2 (0.41) HRH3ALDH1A1SCN1ASCN8A
SCHEMBL8100325 0.85 JAK2 (0.39) PDE4BHRH3ALDH1A1SCN1ASCN8A
SCHEMBL5526683 0.83 SCN1A (0.50) MCHR1SCN1ASCN8A
SCHEMBL8088026 0.81 HTR2C (0.40) PDE4BSCN1ASCN8A
SCHEMBL4246391 0.81 SCN1A (0.42) HRH3SCN1ASCN8A
SCHEMBL8091662 0.81 HRH1 (0.47) ALDH1A1SCN1ASCN8A
SCHEMBL8102279 0.81 HTR2B (0.42) ADRB2PDE4BSCN1ASCN8A

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 PDE2A 768/4885OPRM1 191/4885ADRA2A 510/4885

“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.