SCHEMBL5478441

SCHEMBL5478441

CC(C)(C)OC(=O)N1CCN(C2CCC(C#N)(c3cccc(O)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.43
MGLL Q99685 3/20 0.42
OPRM1 P35372 2/20 0.41
CYP2D6 P10635 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
TACR1 P25103 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL5478436 1.00 IRAK4 (0.43) IRAK4MGLLOPRM1CYP2D6GPR119
SCHEMBL5478432 1.00 IRAK4 (0.43) IRAK4MGLLOPRM1CYP2D6GPR119
SCHEMBL4878236 0.89 KMT2A (0.52) IRAK4MGLLCYP2D6HRH3
SCHEMBL4878245 0.89 KMT2A (0.52) IRAK4MGLLCYP2D6HRH3
SCHEMBL4878243 0.89 KMT2A (0.52) IRAK4MGLLCYP2D6HRH3
SCHEMBL20066225 0.85 CYP2D6 (0.47) IRAK4OPRM1CYP2D6GPR119HRH3
SCHEMBL5473403 0.85 YAP1 (0.45) IRAK4MGLLOPRM1GPR119OPRD1
SCHEMBL5473628 0.85 YAP1 (0.45) IRAK4MGLLOPRM1GPR119OPRD1
SCHEMBL5473407 0.85 YAP1 (0.45) IRAK4MGLLOPRM1GPR119OPRD1
SCHEMBL5466310 0.84 CYP2D6 (0.45) MGLLOPRM1CYP2D6HRH3OPRD1

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-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 IRAK4 383/4885MGLL 1254/4885OPRM1 211/4885

“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.