SCHEMBL3288593

SCHEMBL3288593

CCOC(=O)N1CCC(Oc2cccc(NC(=O)c3cc(OC(F)(F)F)ccc3-c3ccccc3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
PRKAA2 P54646 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
P2RX1 P51575 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
P2RY12 Q9H244 2/20 0.42
SCN9A Q15858 1/20 0.42
BRAF P15056 1/20 0.42
EPHX2 P34913 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 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
SCHEMBL3290805 0.93 KDM4E (0.47) PRKAA2P2RX1KDM4EGAASCN9A
SCHEMBL3291608 0.91 SMO (0.46) SMN1; SMN2MAPTHTTPRKAA2ALDH1A1
SCHEMBL3295277 0.90 P2RX1 (0.47) PRKAA2P2RX1KDM4EGAASCN9A
SCHEMBL5145537 0.90 SMN1; SMN2 (0.52) SMN1; SMN2MAPTHTTALDH1A1KDM4E
SCHEMBL3294697 0.84 SMO (0.45) MAPTPRKAA2P2RX1KDM4EGAA
SCHEMBL3289823 0.84 KDM4E (0.46) PRKAA2P2RX1KDM4EGAAP2RY12
SCHEMBL3289542 0.84 MAPT (0.48) SMN1; SMN2MAPTHTTPRKAA2ALDH1A1
SCHEMBL3290189 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPTHTTALDH1A1LMNA
SCHEMBL3290350 0.84 KDM4E (0.50) SMN1; SMN2MAPTPRKAA2ALDH1A1LMNA
SCHEMBL3313226 0.83 PRKAA2 (0.46) PRKAA2ALDH1A1KDM4EGAASCN9A

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 disclosed
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 SMN1; SMN2 4852/4885MAPT 4285/4885HTT 2766/4885

“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.