SCHEMBL3486288

SCHEMBL3486288

CCCCCCC(=O)C(=O)N1CCC(C2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.56
KDM4E B2RXH2 1/20 0.44
AKR1C3 P42330 1/20 0.44
GNAI3 P08754 3/20 0.43
GNAO1 P09471 3/20 0.43
GNAI1 P63096 3/20 0.43
MAPT P10636 1/20 0.42
EPHX2 P34913 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
SCHEMBL13434277 0.82 GPR119 (0.62) GPR119AKR1C3MAPT
SCHEMBL10276228 0.78 GPR119 (0.69) GPR119AKR1C3
SCHEMBL3486212 0.78 GPR119 (0.69) GPR119AKR1C3
SCHEMBL3486603 0.77 GPR119 (0.64) GPR119AKR1C3
SCHEMBL3486215 0.76 GPR119 (0.60) GPR119AKR1C3MAPTEPHX2
SCHEMBL3486751 0.75 GPR119 (0.76) GPR119AKR1C3MAPT
SCHEMBL13434279 0.74 GPR119 (0.61) GPR119KDM4EAKR1C3
SCHEMBL13434280 0.73 GPR119 (0.62) GPR119MAPT
SCHEMBL3486452 0.72 GPR119 (1.00) GPR119
SCHEMBL3486406 0.72 GPR119 (0.57) GPR119AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 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-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules SIRNA THERAPEUTICS, INC. (US) 2010-02-11 US disclosed
EP-1724254-A2 Novel compositions for the delivery of negatively charged molecules Sirna Therapeutics, Inc. (US) 2006-11-22 EP disclosed
US-20050234232-A1 Novel compositions for the delivery of negatively charged molecules SIRNA THERAPEUTICS, INC. 2005-10-20 US disclosed
US-20030073640-A1 Novel compositions for the delivery of negatively charged molecules RIBOZYME PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6395713-B1 CATIONIC LIPIDCATIONIC LIPID RIBOZYME PHARMACEUTICALS, INC. 2002-05-28 US 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 (4 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 GPR119 1/4885KDM4E 4135/4885AKR1C3 1257/4885
US-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules PHAX, TARBP1, SNRPE GPR119 849/4885KDM4E 3777/4885AKR1C3 3178/4885
US-20050234232-A1 Novel compositions for the delivery of negatively charged molecules PHAX, TARBP1, SNRPE GPR119 849/4885KDM4E 3777/4885AKR1C3 3178/4885
US-20030073640-A1 Novel compositions for the delivery of negatively charged molecules PHAX, TARBP1, SNRPE GPR119 849/4885KDM4E 3777/4885AKR1C3 3178/4885

“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.