SCHEMBL4245783

SCHEMBL4245783

COc1cc(F)cc2c(OC3CCN(Cc4ccccc4C(=O)O)CC3)cc(C)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 2/20 0.40
RBP4 P02753 1/20 0.40
TTR P02766 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SSTR5 P35346 1/20 0.39
HRH2 P25021 1/20 0.38
DHODH Q02127 1/20 0.38
PDE4B Q07343 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL4249178 0.92 CCR3 (0.42) CCR3HRH1KCNH2POLBMEN1
SCHEMBL8102908 0.88 EHMT2 (0.45) MEN1KMT2APDE4B
SCHEMBL13945377 0.86 CCR3 (0.47) CCR3HRH1KCNH2RBP4TTR
SCHEMBL13945379 0.86 EHMT2 (0.47) MEN1KMT2A
SCHEMBL8091662 0.85 HRH1 (0.47) CCR3HRH1KCNH2RBP4TTR
SCHEMBL4241073 0.84 CHRM4 (0.42) PDE4B
SCHEMBL4241800 0.80 PDE4B (0.37) MEN1KMT2ASSTR5PDE4B
SCHEMBL8088928 0.80 HRH1 (0.48) CCR3HRH1KCNH2RBP4TTR
SCHEMBL8100178 0.79 CHRM4 (0.42) CCR3HRH1KCNH2RBP4TTR
SCHEMBL13945353 0.76 S1PR5 (0.43) POLBRBP4TTRS1PR5

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 5 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
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
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 CCR3 3169/4885HRH1 708/4885KCNH2 43/4885

“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.