SCHEMBL751885

SCHEMBL751885

CC1CN(C(=O)C2CCCCC2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.61
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.54
MMP7 P09237 1/20 0.54
MMP9 P14780 1/20 0.54
MMP13 P45452 1/20 0.54
ALDH1A1 P00352 2/20 0.52
CNR2 P34972 2/20 0.51
HSD11B1 P28845 6/20 0.50
EPHX2 P34913 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL752543 0.94 CNR1 (0.53) CNR1MMP1MMP3MMP7MMP9
SCHEMBL734915 0.83 HSD11B1 (0.64) HSD11B1
SCHEMBL734914 0.83 HSD11B1 (0.64) HSD11B1
SCHEMBL752389 0.83 HSD11B1 (0.64) HSD11B1
SCHEMBL734916 0.83 HSD11B1 (0.64) HSD11B1
SCHEMBL752692 0.82 ALDH1A1 (0.75) CNR1ALDH1A1CNR2EPHX2NPSR1
SCHEMBL751867 0.81 ALDH1A1 (0.73) CNR1ALDH1A1HSD11B1EPHX2NPSR1
SCHEMBL733595 0.80 ALDH1A1 (0.49) CNR1MMP1MMP3MMP7MMP9
SCHEMBL751771 0.80 HSD11B1 (0.54) ALDH1A1HSD11B1
SCHEMBL751900 0.80 ALDH1A1 (0.70) CNR1ALDH1A1CNR2HSD11B1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
WO-2016034742-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-10 WO disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 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 (2 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-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES GPR119, GLP1R, INSR CNR1 281/4885MMP1 3977/4885MMP3 4270/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR CNR1 281/4885MMP1 3977/4885MMP3 4270/4885

“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.