SCHEMBL14287263

SCHEMBL14287263

COCCN1CCc2c(-c3ccccc3)cc3c(c2C1)NC(=O)C3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
ABCB1 P08183 3/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL14287272 0.88 ALDH1A1 (0.39) HTR6ALDH1A1DRD2DRD4DRD3
SCHEMBL14287269 0.87 KDM4E (0.39) HTR6KDM4EALDH1A1HDAC1HDAC6
SCHEMBL14287266 0.87 HTR6 (0.41) HTR6KDM4EALDH1A1MAPTMAPK1
SCHEMBL14287307 0.86 HTR6 (0.39) HTR6ADORA2AADORA1
SCHEMBL3839103 0.84 HDAC1 (0.39) KDM4EALDH1A1HDAC1HDAC6SMN1; SMN2
SCHEMBL3842915 0.83 SLC6A5 (0.46) DRD2DRD4DRD3ABCB1
SCHEMBL6607897 0.82 CYP2C9 (0.39) HTR6KDM4EALDH1A1MEN1MAPT
SCHEMBL3843574 0.81 DRD2 (0.36) ALDH1A1HDAC1HDAC6DRD2DRD4
SCHEMBL3845357 0.81 ADORA2A (0.39) DRD2SIGMAR1ADORA2AADORA1
SCHEMBL14287260 0.79 NPC1 (0.40) HTR6ALDH1A1SMN1; SMN2MEN1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 HTR6 629/4885KDM4E 2625/4885ALDH1A1 4554/4885

“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.