SCHEMBL345818

SCHEMBL345818

CC1(C(N)=O)CCN(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL13737602 0.88 FFAR3 (0.34) FFAR3PKMALDH1A1TP53OPRM1
SCHEMBL3839011 0.83 FFAR3 (0.34) FFAR3ALDH1A1
SCHEMBL2055552 0.83 CYP1A2 (0.43) ALDH1A1
SCHEMBL3057470 0.82 FFAR3 (0.59) FFAR3ALDH1A1
SCHEMBL29222501 0.80 FFAR3 (0.32) FFAR3
SCHEMBL19641323 0.80 FFAR3 (0.39) FFAR3ALDH1A1
SCHEMBL2055551 0.77 SCN1A (0.37) FFAR3PKMOPRM1
SCHEMBL2270360 0.77 CHRM2 (0.38) FFAR3ALDH1A1OPRM1
SCHEMBL31481319 0.77 FFAR3 (0.35) FFAR3PKMALDH1A1
SCHEMBL15759336 0.77 FFAR3 (0.38) FFAR3ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO disclosed
CN-101516872-A Synthesis of (2S,5R)-5-ethynyl-1-{N-(4-methyl-1-(4-carboxy-pyridin-2-yl)piperidin-4-yl)glycyl}pyrrolidine-2-carbonitrile ABBOTT LAB (US) 2009-08-26 CN disclosed
EP-2057145-A1 SYNTHESIS OF (2S,5R)-5-ETHYNYL-1-{N-(4-METHYL-1-(4-CARBOXY-PYRIDIN-2-YL)PIPERIDIN-4-YL)GLYCYL}PYRROLIDINE-2-CARBONITRILE Abbott Laboratories (US) 2009-05-13 EP disclosed
WO-2008011499-A1 SYNTHESIS OF (2S,5R)-5-ETHYNYL-1-{N-(4-METHYL-1-(4-CARBOXY-PYRIDIN-2-YL)PIPERIDIN-4-YL)GLYCYL}PYRROLIDINE-2-CARBONITRILE ABBOTT LABORATORIES (US) 2008-01-24 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 (6 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 FFAR3 1093/4885PKM 1564/4885ALDH1A1 559/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 FFAR3 1555/4885PKM 1171/4885ALDH1A1 185/4885
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 FFAR3 1403/4885PKM 2057/4885ALDH1A1 28/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 FFAR3 389/4885PKM 3059/4885ALDH1A1 1444/4885
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 FFAR3 1166/4885PKM 1703/4885ALDH1A1 676/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 FFAR3 1654/4885PKM 1080/4885ALDH1A1 202/4885

“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.