SCHEMBL3314993

SCHEMBL3314993

COC(=O)C(NC1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN1 P18031 1/20 0.45
FAAH O00519 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
PDGFRB P09619 3/20 0.44
KIT P10721 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
FLT3 P36888 1/20 0.44
NPY5R Q15761 4/20 0.44
EPHX2 P34913 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL4715386 0.86 MAPT (0.47) SMN1; SMN2FAAHPDGFRBNPY5RNPC1
SCHEMBL3314404 0.77 FAAH (0.55) GRIN2BHPGDSMN1; SMN2PTPN1FAAH
SCHEMBL75350 0.73 KMT2A (0.53)
SCHEMBL28701897 0.72 KMT2A (0.43)
SCHEMBL311835 0.71 SMN1; SMN2 (0.66) SMN1; SMN2FAAHPDGFRBEPHX2NPC1
SCHEMBL28363630 0.71 EPHX2 (0.67) HPGDSMN1; SMN2FAAHPDGFRBEPHX2
SCHEMBL6639610 0.70 GRM7 (0.52)
SCHEMBL3026001 0.70 FAAH (0.67) FAAH
SCHEMBL15270318 0.69 KMT2A (0.47)
SCHEMBL15270572 0.69 KMT2A (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 GRIN2B 135/4885MAPK1 1317/4885HPGD 1482/4885

“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.