SCHEMBL8094478

SCHEMBL8094478

COc1cccc2c(OC3CCN(Cc4ccccc4-c4nnn[nH]4)CC3)cc(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR7 P34969 9/20 0.37
GNAI3 P08754 1/20 0.37
PHGDH O43175 1/20 0.36
NTSR1 P30989 1/20 0.36
HTR1D P28221 2/20 0.36
CXCR4 P61073 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
HTR4 Q13639 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL4242852 0.90 PDE4B (0.36) HTR7PHGDHHTR1DHTR2BHTR4
SCHEMBL4241800 0.90 PDE4B (0.37) MEN1KMT2AHTR7GNAI3PHGDH
SCHEMBL8097687 0.86 PDE4B (0.38) MEN1KMT2AHTR7GNAI3PHGDH
SCHEMBL8100440 0.85 PDE4B (0.35) MEN1KMT2AHTR7PHGDHHTR1D
SCHEMBL4242109 0.84 CHRM4 (0.40) HTR7HTR1DHTR2BCHRM4DRD2
SCHEMBL8096594 0.82 HTR1D (0.40) MEN1KMT2AHTR7HTR1D
SCHEMBL8087944 0.82 GRIN1 (0.38) MEN1KMT2AHTR1D
SCHEMBL8096925 0.82 HTR1D (0.37) MEN1KMT2AHTR7HTR1DTDP1
SCHEMBL8094318 0.80 SMN1; SMN2 (0.51) MEN1KMT2ADRD2DRD4
SCHEMBL8102582 0.79 DPP4 (0.49) MEN1KMT2AHTR7GNAI3HTR1D

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 MEN1 4478/4885KMT2A 3931/4885HTR7 395/4885

“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.