SCHEMBL14287286

SCHEMBL14287286

CCN1CCc2c(Br)ccc(NC(=O)/C=N/O)c2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNH2 Q12809 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL14287500 1.00 MAPK1 (0.38) MAPK1HPGDHDAC1HDAC6MAPT
SCHEMBL14402458 0.87 MAPK1 (0.39) MAPK1HPGDMAPTCYP1A2NPSR1
SCHEMBL8119203 0.85 MAPK1 (0.40) MAPK1HPGDHDAC1HDAC6MAPT
SCHEMBL4359331 0.85 MAPK1 (0.40) MAPK1HPGDHDAC1HDAC6MAPT
SCHEMBL4359335 0.85 MAPK1 (0.40) MAPK1HPGDHDAC1HDAC6MAPT
SCHEMBL6781077 0.83 MAPT (0.42) MAPK1HDAC1HDAC6MAPTKCNH2
SCHEMBL6781079 0.78 MAPT (0.42) MAPK1HDAC1HDAC6MAPTKCNH2
SCHEMBL23412392 0.78 MAPK1 (0.47) MAPK1HPGDMAPTCYP1A2NPSR1
SCHEMBL23412327 0.78 MAPK1 (0.47) MAPK1HPGDMAPTCYP1A2NPSR1
SCHEMBL23412328 0.78 MAPK1 (0.47) MAPK1HPGDMAPTCYP1A2NPSR1

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-20080004282-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US 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 (2 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-20080004282-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 MAPK1 4169/4885HPGD 3116/4885HDAC1 1530/4885
US-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 MAPK1 4169/4885HPGD 3116/4885HDAC1 1530/4885

“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.