SCHEMBL1147231

SCHEMBL1147231

CC(C)c1ccc(NC(=O)C2(N)CCN(Cc3ccccc3F)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ HTT P42858 1/20 0.51
▸ FAAH O00519 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ BCHE P06276 2/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ACHE P22303 1/20 0.42

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 SCHEMBL1146741 0.99 MEN1 (0.50) MEN1KMT2AHTTFAAHKDM4E
SCHEMBL1146884 0.88 FAAH (0.50) MEN1KMT2AFAAHKDM4EMAPT
Hydrochloric Acid SCHEMBL1147410 0.88 FAAH (0.49) MEN1KMT2AFAAHKDM4EMAPT
SCHEMBL1146843 0.87 MEN1 (0.53) MEN1KMT2AHTTFAAHKDM4E
SCHEMBL1146887 0.87 KDM4E (0.47) MEN1KMT2AFAAHKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1147096 0.86 KDM4E (0.46) MEN1KMT2AFAAHKDM4EALDH1A1
SCHEMBL15387427 0.85 MEN1 (0.48) MEN1KMT2AHTTFAAHKDM4E
SCHEMBL1147018 0.85 ALDH1A1 (0.61) HTTFAAHMAPTALDH1A1MAPK1
SCHEMBL1147219 0.84 EPHX2 (0.46) FAAHALDH1A1BCHEACHE
SCHEMBL1147324 0.84 FAAH (0.57) HTTFAAHKDM4EMAPTALDH1A1

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 8 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

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 MEN1 2306/4885KMT2A 1526/4885HTT 1690/4885

“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.

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