SCHEMBL4342108

SCHEMBL4342108

CCCC(=O)N[C@@H]1CCC[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.50
CNR1 P21554 8/20 0.50
CNR2 P34972 8/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL22859155 1.00 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1HDAC3
SCHEMBL22858805 1.00 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1HDAC3
SCHEMBL22858735 0.96 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1
SCHEMBL30526487 0.96 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1
SCHEMBL4341647 0.96 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1
SCHEMBL22858818 0.89 TRPV1 (0.53) TRPV1CNR1CNR2L3MBTL1HDAC3
SCHEMBL775241 0.88 L3MBTL1 (0.48) TRPV1CNR1CNR2L3MBTL1HDAC3
SCHEMBL30526484 0.86 TRPV1 (0.60) TRPV1CNR1CNR2
SCHEMBL25069844 0.85 TRPV1 (0.41) TRPV1CNR1CNR2L3MBTL1MTNR1A
SCHEMBL828065 0.85 TRPV1 (0.41) TRPV1CNR1CNR2L3MBTL1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498292-B2 Combinatorial libraries of autoinducer analogs, autoinducer agonists and antagonists, and methods of use thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-03-03 US disclosed
US-20080027115-A1 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-01-31 US disclosed
EP-1578359-A2 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF The Research Foundation of the State University of New York (US) 2005-09-28 EP disclosed
US-20040115732-A1 Combinatorial libraries of autoinducer analogs, autoinducer agonists and antagonists, and methods of use thereof RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2004-06-17 US disclosed
WO-2004016213-A2 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-02-26 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 (1 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-20080027115-A1 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF QRFPR, CASR, BLVRB TRPV1 436/4885CNR1 94/4885CNR2 205/4885

“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.