SCHEMBL1146908

SCHEMBL1146908

CN(C)C1(C(=O)Nc2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 11/20 0.60
DCUN1D1 Q96GG9 11/20 0.60
FAAH O00519 2/20 0.56
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LIMK2 P53671 1/20 0.51
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL15387772 0.83 LMNA (0.57) UBE2MDCUN1D1FAAHLMNAMAPT
SCHEMBL11563630 0.81 UBE2M (0.61) UBE2MDCUN1D1FAAHLMNAMAPT
SCHEMBL10500798 0.78 LMNA (0.60) DCUN1D1FAAHLMNAMAPTSMN1; SMN2
SCHEMBL11561860 0.78 UBE2M (0.55) UBE2MDCUN1D1FAAHLMNAMAPT
SCHEMBL11566812 0.77 UBE2M (0.57) UBE2MDCUN1D1FAAHLMNAMAPT
SCHEMBL11889046 0.76 CYP2D6 (0.58) ALDH1A1
SCHEMBL11569157 0.75 UBE2M (0.54) UBE2MDCUN1D1FAAHLMNAMAPT
SCHEMBL18640301 0.75 DCUN1D1 (1.00) UBE2MDCUN1D1ALDH1A1
SCHEMBL2808157 0.75 OPRL1 (0.56) UBE2MDCUN1D1FAAHLMNAKDM4E
SCHEMBL3895076 0.75 TACR3 (0.57) UBE2MDCUN1D1FAAHLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US claimed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO claimed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed
EP-0121972-B1 N-ARYL-ALPHA-AMINO-CARBOXAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1989-05-24 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-20110028515-A1 NEW PIPERIDINE DERIVATIVES ADRA1D, ADORA1, H1-0 UBE2M 4157/4885DCUN1D1 2524/4885FAAH 2059/4885

“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.