SCHEMBL1146887

SCHEMBL1146887

CC(C)c1ccc(NC(=O)C2(N)CCN(Cc3ccccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
NPSR1 Q6W5P4 3/20 0.47
ATM Q13315 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 7/20 0.47
GAA P10253 1/20 0.47
KCNH2 Q12809 3/20 0.45
FAAH O00519 1/20 0.44
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.42
ABL1 P00519 1/20 0.41
C5AR1 P21730 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
Hydrochloric Acid SCHEMBL1147096 0.99 KDM4E (0.46) KDM4ENPSR1ATMKMT2ATDP1
SCHEMBL12875314 0.89 KDM4E (0.47) KDM4ENPSR1ATMKMT2ATDP1
SCHEMBL1146917 0.88 KDM4E (0.51) KDM4ENPSR1ATMKMT2ATDP1
SCHEMBL1147231 0.87 MEN1 (0.51) KDM4EATMKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL1146741 0.86 MEN1 (0.50) KDM4EATMKMT2AMEN1ALDH1A1
SCHEMBL1146884 0.86 FAAH (0.50) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL15387459 0.86 BCHE (0.46) KDM4ENPSR1ATMKMT2ATDP1
SCHEMBL1147219 0.86 EPHX2 (0.46) ALDH1A1KCNH2FAAH
Hydrochloric Acid SCHEMBL15387640 0.85 BCHE (0.45) KDM4ENPSR1ATMKMT2ATDP1
Hydrochloric Acid SCHEMBL1147369 0.85 EPHX2 (0.46) ALDH1A1KCNH2FAAH

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-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-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

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 KDM4E 2216/4885NPSR1 138/4885ATM 3428/4885

“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.