SCHEMBL8088928

SCHEMBL8088928

Cc1cc(OC2CCN(Cc3ccccc3C(=O)O)CC2)c2cc(O)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.48
CCR3 P51677 1/20 0.48
KCNH2 Q12809 1/20 0.48
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HRH2 P25021 1/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR5 Q9H228 4/20 0.40
HTR2A P28223 1/20 0.40
HTR4 Q13639 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KMT2A Q03164 1/20 0.39
RBP4 P02753 1/20 0.39
TTR P02766 1/20 0.39
HTR1D P28221 2/20 0.39
HTR1A P08908 1/20 0.38
HTR1B P28222 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
SCHEMBL13945377 0.90 CCR3 (0.47) HRH1CCR3KCNH2CNR1CNR2
SCHEMBL4249271 0.85 SMN1; SMN2 (0.49) KCNH2GRIN1GRIN2BHTR1DHTR1A
SCHEMBL8094458 0.84 HRH1 (0.49) HRH1CCR3KCNH2CNR1CNR2
SCHEMBL8104188 0.83 HRH1 (0.47) HRH1CCR3KCNH2CNR1KMT2A
SCHEMBL8100178 0.83 CHRM4 (0.42) HRH1CCR3KCNH2HCRTR1HCRTR2
SCHEMBL8091662 0.82 HRH1 (0.47) HRH1CCR3KCNH2HCRTR1HCRTR2
SCHEMBL8087944 0.80 GRIN1 (0.38) S1PR5GRIN1GRIN2BKMT2AHTR1D
SCHEMBL4245783 0.80 CCR3 (0.45) HRH1CCR3KCNH2HRH2S1PR5
SCHEMBL13945459 0.78 ALDH1A1 (0.47) HRH1CCR3ALDH1A1KMT2A
SCHEMBL8097730 0.78 GAA (0.45) HRH1CCR3KCNH2ALDH1A1KMT2A

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 HRH1 708/4885CCR3 3169/4885KCNH2 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.