SCHEMBL8094458

SCHEMBL8094458

Cc1cc(OC2CCN(Cc3cccc(C(=O)O)c3)CC2)c2cc(O)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
CCR3 P51677 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
HTR1D P28221 1/20 0.45
OPRK1 P41145 1/20 0.45
ENPP2 Q13822 3/20 0.44
CNR1 P21554 5/20 0.42
CNR2 P34972 3/20 0.42
KDM1A O60341 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8104188 0.90 HRH1 (0.47) HRH1CCR3KCNH2HTR1DENPP2
SCHEMBL5529781 0.90 HTR1D (0.51) HRH1CCR3KCNH2CYP2D6CYP2C9
SCHEMBL4249271 0.89 SMN1; SMN2 (0.49) KCNH2HTR1DOPRK1
SCHEMBL8088928 0.84 HRH1 (0.48) HRH1CCR3KCNH2HTR1DCNR1
SCHEMBL8091683 0.83 HTR1D (0.51) HTR1DENPP2
SCHEMBL5531716 0.82 HTR1D (0.49) HRH1CCR3KCNH2HTR1DOPRK1
SCHEMBL13945423 0.80 HTR1D (0.50) HRH1CCR3KCNH2HTR1DOPRK1
SCHEMBL5532963 0.77 NCF1 (0.58) KCNH2HTR1D
SCHEMBL13945372 0.77 SMN1; SMN2 (0.52) HTR1D
SCHEMBL5532724 0.77 SMN1; SMN2 (0.49) HTR1D

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.