SCHEMBL3486482

SCHEMBL3486482

O=C(O)N1CCC(C2CCN(c3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.47
MAPT P10636 12/20 0.47
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.43
RAB9A P51151 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
THRB P10828 1/20 0.42
NOTUM Q6P988 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HPGD P15428 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
SCHEMBL3486479 1.00 DCTPP1 (0.47) DCTPP1MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL14960305 0.89 MAPT (0.45) DCTPP1MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL17958719 0.89 SMN1; SMN2 (0.54) DCTPP1MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL17958720 0.89 SMN1; SMN2 (0.54) DCTPP1MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL25261548 0.84 DCTPP1 (0.45) DCTPP1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL10316029 0.83 GPR119 (0.60) MAPTALDH1A1LMNA
SCHEMBL3486563 0.80 NOTUM (0.46) MAPTALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL3486900 0.79 MAPT (0.58) MAPTALDH1A1L3MBTL1CYP2C19KMT2A
SCHEMBL28978009 0.79 MAPT (0.50) DCTPP1MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL30393204 0.79 MAPT (0.50) DCTPP1MAPTALDH1A1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
EP-2112880-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-04 EP disclosed
WO-2008076243-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-06-26 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 (3 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-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, FFAR2 DCTPP1 2952/4885MAPT 4072/4885ALDH1A1 2889/4885
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 DCTPP1 2626/4885MAPT 3957/4885ALDH1A1 3273/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 DCTPP1 2234/4885MAPT 3863/4885ALDH1A1 3200/4885

“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.