SCHEMBL3092249

SCHEMBL3092249

CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKT1 P31749 2/20 0.41
CPA3 P15088 1/20 0.41
FOLH1 Q04609 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
EPOR P19235 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTT P42858 1/20 0.38

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
SCHEMBL27880889 1.00 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL11599332 0.90 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
Hydrochloric Acid SCHEMBL11597784 0.89 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL9807251 0.87 L3MBTL1 (0.47) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL11018000 0.87 L3MBTL1 (0.47) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8472423 0.85 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL18359864 0.85 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL9124694 0.85 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL20576145 0.85 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8472422 0.85 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10

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
US-20130012712-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES FOREST LABORATORIES HOLDINGS LTD. (BM) 2013-01-10 US disclosed
US-8288553-B2 Method for preparing disubstituted piperidine and intermediates FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-10-16 US disclosed
EP-2200983-B1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES NOVEXEL (FR) 2011-12-28 EP disclosed
US-20100197928-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES NOVEXEL (FR) 2010-08-05 US disclosed
EP-2200983-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES NOVEXEL (FR) 2010-06-30 EP disclosed
WO-2009090320-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES NOVEXEL (FR) 2009-07-23 WO disclosed
EP-0353565-B1 IMMUNOSTIMULATING PEPTIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMMPOSITIONS CONTAINING THEM ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1993-03-24 EP disclosed
US-5079231-A IMMUNOSTIMULATING PEPTIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELLEM INDUSTRIA FARMACEUTICA S.P.A. (IT) 1992-01-07 US disclosed
US-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 US disclosed
EP-0353565-A1 Immunostimulating peptides, a process for their preparation and pharmaceutical commpositions containing them ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1990-02-07 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-20130012712-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES OGDH, FPGS, PLOD1 L3MBTL1 4505/4885ALDH1A1 449/4885LMNA 1919/4885
US-20100197928-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES OGDH, FPGS, PLOD1 L3MBTL1 4505/4885ALDH1A1 449/4885LMNA 1919/4885

“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.