SCHEMBL752589

SCHEMBL752589

CC1CN(C(=O)Cc2ccncc2)CC(C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.54
ACHE P22303 1/20 0.51
TP53 P04637 2/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL752571 0.89 ACHE (0.53) HSD11B1ACHEALDH1A1SMN1; SMN2
SCHEMBL753948 0.86 HSD11B1 (0.68) HSD11B1
SCHEMBL752741 0.83 HSD11B1 (0.53) HSD11B1ACHEALDH1A1SMN1; SMN2LMNA
SCHEMBL754186 0.82 ACHE (0.58) HSD11B1ACHELMNA
SCHEMBL751775 0.81 GAA (0.59) HSD11B1TP53ALDH1A1LMNA
SCHEMBL753799 0.81 ALDH1A1 (0.50) HSD11B1ACHEALDH1A1SMN1; SMN2LMNA
SCHEMBL3219797 0.79 ACHE (0.63) HSD11B1ACHELMNA
SCHEMBL13489648 0.73 HSD11B1 (0.53) HSD11B1ACHESMN1; SMN2
SCHEMBL13814926 0.72 CNR1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL13805209 0.72 CNR1 (0.46) ALDH1A1SMN1; SMN2

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 HSD11B1 2477/4885ACHE 211/4885TP53 3122/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR HSD11B1 2477/4885ACHE 211/4885TP53 3122/4885

“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.