SCHEMBL3289661

SCHEMBL3289661

Cc1cccc(C(=O)Nc2cccc(OC3CCN(C(O)=S)CC3)c2)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.44
MTTP P55157 8/20 0.44
APOB P04114 7/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NTRK1 P04629 1/20 0.42
KCNH2 Q12809 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
EPHX2 P34913 1/20 0.42
PGR P06401 1/20 0.41
GPR183 P32249 1/20 0.41
PRKAA2 P54646 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
SCHEMBL3289783 0.94 SMO (0.46) SMOMTTPAPOBNPC1RAB9A
SCHEMBL3288902 0.92 EPHX1 (0.46) SMOMTTPAPOBNPC1RAB9A
SCHEMBL3288874 0.92 APOB (0.45) SMOMTTPAPOBNPC1RAB9A
SCHEMBL3288509 0.91 NTRK1 (0.50) SMOMTTPAPOBNTRK1KCNH2
SCHEMBL3289658 0.91 APOB (0.45) SMOMTTPAPOBNPC1RAB9A
SCHEMBL3289470 0.91 APOB (0.54) SMOMTTPAPOBNPC1RAB9A
SCHEMBL3290031 0.91 APOB (0.45) SMOMTTPAPOBNPC1RAB9A
SCHEMBL3292606 0.91 CSF1R (0.46) SMOMTTPAPOBNPC1RAB9A
Carbamic Acid SCHEMBL4396683 0.91 MTTP (0.52) SMOMTTPAPOBNPC1RAB9A
SCHEMBL13329020 0.90 APOB (0.44) SMOMTTPAPOBNPC1RAB9A

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 6 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
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP claimed
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 US claimed
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP 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 SMO 3413/4885MTTP 202/4885APOB 23/4885

“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.