SCHEMBL1613845

SCHEMBL1613845

C/N=C/c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.69
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
MAPT P10636 4/20 0.53
KMT2A Q03164 4/20 0.53
CYP1A2 P05177 3/20 0.53
MEN1 O00255 3/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.47
CHAT P28329 1/20 0.47
RELA Q04206 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPC1 O15118 5/20 0.44

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
SCHEMBL13459745 0.84 NPC1 (0.50) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11749513 0.82 CHRM5 (1.00) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL758336 0.78 CHRM5 (0.69) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2009972 0.78 CHRM5 (0.69) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5213059 0.78 CHRM5 (0.69) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL758335 0.78 CHRM5 (0.69) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24278911 0.78 CHRM5 (0.62) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12756972 0.78 CHRM5 (0.62) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL28407097 0.77 CHRM5 (0.67) CHRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14530037 0.76 NPC1 (0.72) MAPTKMT2ACYP1A2MEN1SMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815935-B2 Inhibitors of protein prenyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-25 US disclosed
EP-2488491-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
EP-2197853-B1 INSECTICIDAL PYRIMIDINYL ARYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2011-11-09 EP disclosed
US-8017607-B2 N-substituted-pyrrolidines as inhibitors of MDM2-P-53 interactions HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-8017607-B2 N-substituted-pyrrolidines as inhibitors of MDM2-P-53 interactions HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-8017607-B2 N-substituted-pyrrolidines as inhibitors of MDM2-P-53 interactions HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US disclosed
WO-2011045257-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
WO-2011045257-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
US-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS BARTKOVITZ DAVID JOSEPH 2011-04-14 US disclosed
US-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS BARTKOVITZ DAVID JOSEPH 2011-04-14 US disclosed
US-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS BARTKOVITZ DAVID JOSEPH 2011-04-14 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 (3 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-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS MDM2, TP53, TP53BP1 CHRM5 3639/4885GRIN2D 4240/4885GRIN3B 4087/4885
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB CHRM5 4848/4885GRIN2D 4856/4885GRIN3B 4493/4885
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB CHRM5 4848/4885GRIN2D 4856/4885GRIN3B 4493/4885

“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.