SCHEMBL4147783

SCHEMBL4147783

CC(C)(C)N(CCc1ccc(O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BLM P54132 1/20 0.45
ESR1 P03372 3/20 0.43
ESR2 Q92731 2/20 0.43
KDM4E B2RXH2 2/20 0.42
F13A1 P00488 1/20 0.42
CA2 P00918 2/20 0.41
CAMK2A Q9UQM7 1/20 0.41
ESRRB O95718 2/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL6341293 0.89 ACHE (0.46) ESRRGMEN1KMT2AHTTL3MBTL1
SCHEMBL1027884 0.86 MEN1 (0.47) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL1935310 0.86 MEN1 (0.47) ESRRGMEN1KMT2AHTTL3MBTL1
SCHEMBL2881402 0.86 PPARA (0.49) ESRRGMEN1KMT2AHTTL3MBTL1
SCHEMBL21247482 0.86 KMT2A (0.63) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL1845384 0.85 MEN1 (0.46) ESRRGMEN1KMT2AHTTL3MBTL1
SCHEMBL21997106 0.85 KMT2A (0.46) MEN1KMT2AHTTL3MBTL1BLM
SCHEMBL11898599 0.85 MEN1 (0.46) ESRRGMEN1KMT2AHTTL3MBTL1
SCHEMBL2575721 0.85 TAAR1 (0.50) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL1935745 0.85 MEN1 (0.46) ESRRGMEN1KMT2AHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
US-9518050-B2 Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL, S.A. (ES) 2016-12-13 US disclosed
US-7612084-B2 Amine derivatives for the treatment of asthma and COPD PFIZER INC (US) 2009-11-03 US disclosed
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
US-6437146-B1 MESANGIAL PROLIFERATIVE GLOMERULONEPHRITIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-20 US disclosed
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
WO-1997034905-A1 PHOSPHORUS CONTAINING ARYLOXY AND ARYLTHIOPROPANOL AMINE DERIVATIVES USEFUL AS BETA ADRENORECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-09-25 WO disclosed
WO-1993010074-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS BETA-3-ADRENOCEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 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 (2 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-20070265303-A1 Amine derivatives HNMT, HRH4, CMA1 ESRRG 2905/4885MEN1 825/4885KMT2A 1044/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 ESRRG 2905/4885MEN1 825/4885KMT2A 1044/4885

“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.