SCHEMBL2296095

SCHEMBL2296095

O=C(CON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
NPSR1 Q6W5P4 1/20 0.49
APEX1 P27695 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 3/20 0.47
EPHX2 P34913 1/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL2292215 0.97 CNR1 (0.49) CNR1NPSR1APEX1SMN1; SMN2GAA
SCHEMBL2293543 0.95 PKM (0.48) CNR1SMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL2296264 0.92 PKM (0.46) CNR1SMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL2288916 0.89 LMNA (0.49) CNR1SMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL2290360 0.88 CNR1 (0.46) CNR1NPSR1APEX1SMN1; SMN2GAA
SCHEMBL2293206 0.87 CNR1 (0.56) CNR1NPSR1SMN1; SMN2GAAKMT2A
SCHEMBL2294255 0.85 SMN1; SMN2 (0.57) CNR1NPSR1SMN1; SMN2GAAKMT2A
SCHEMBL2295478 0.84 LMNA (0.60) CNR1SMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL2294367 0.84 KMT2A (0.46) CNR1SMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL2292949 0.84 SMN1; SMN2 (0.47) CNR1SMN1; SMN2GAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S CNR1 15/4885NPSR1 108/4885APEX1 3696/4885

“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.