SCHEMBL1147492

SCHEMBL1147492

CC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ KCNK3 O14649 2/20 0.43
▸ KCNK9 Q9NPC2 2/20 0.43
▸ CNR1 P21554 2/20 0.43
▸ CNR2 P34972 2/20 0.43
▸ MAPK8 P45983 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39

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
SCHEMBL15387801 0.87 EPHX2 (0.45) EPHX2KMT2AMGLLHSD11B1KCNK3
SCHEMBL1147350 0.83 KMT2A (0.53) EPHX2KMT2AMGLLALDH1A1MAPT
SCHEMBL1147219 0.82 EPHX2 (0.46) EPHX2MGLLALDH1A1
Hydrochloric Acid SCHEMBL1147369 0.81 EPHX2 (0.46) EPHX2ALDH1A1
SCHEMBL1160481 0.81 EPHX2 (0.57) EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL1160699 0.80 EPHX2 (0.56) EPHX2ALDH1A1
SCHEMBL11888839 0.78 HSD11B1 (0.54) EPHX2KMT2AMGLLHSD11B1CNR1
SCHEMBL1147452 0.78 MAPT (0.63) EPHX2KMT2AMGLLALDH1A1NPY2R
SCHEMBL1147181 0.77 EPHX2 (0.56) EPHX2KMT2ACNR1CNR2ALDH1A1
SCHEMBL1147033 0.77 EPHX2 (0.46) EPHX2MGLLHSD11B1CNR1CNR2

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 9 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
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 — — US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 — — US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 — — US disclosed
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
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

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 EPHX2 3415/4885KMT2A 1526/4885MGLL 4250/4885

“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.

Send feedback