SCHEMBL3289889

SCHEMBL3289889

COCCOC(=O)N1CCC(Oc2cccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV4 Q9HBA0 4/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CHRM3 P20309 1/20 0.43
EPHX2 P34913 1/20 0.43
RXFP1 Q9HBX9 3/20 0.43
APOB P04114 1/20 0.43
MTTP P55157 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.42
P2RY12 Q9H244 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL5145537 0.93 SMN1; SMN2 (0.52) MAPTHTTSMN1; SMN2TRPV4KDM4E
SCHEMBL5144167 0.92 KDM4E (0.48) MAPTHTTSMN1; SMN2TRPV4KDM4E
SCHEMBL3292088 0.92 MTTP (0.48) MAPTHTTSMN1; SMN2KDM4EGAA
SCHEMBL3289775 0.88 POLB (0.51) MAPTTRPV4KDM4EGAAEPHX2
SCHEMBL5144288 0.88 KDM4E (0.46) SMN1; SMN2KDM4EGAAP2RY12MMP1
SCHEMBL3289503 0.88 EPHX2 (0.49) MAPTTRPV4KDM4EGAAEPHX2
SCHEMBL3289823 0.85 KDM4E (0.46) KDM4EGAACHRM3P2RY12MMP1
SCHEMBL3290189 0.84 SMN1; SMN2 (0.51) MAPTHTTSMN1; SMN2KDM4EGAA
SCHEMBL3288869 0.84 MTTP (0.56) APOBMTTP
SCHEMBL3289514 0.83 GAA (0.47) HTTKDM4EGAACHRM3P2RY12

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-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US claimed
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 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-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems GPR119, FABP4, LIPC MAPT 4285/4885HTT 2766/4885SMN1; SMN2 4852/4885

“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.