SCHEMBL2419975

SCHEMBL2419975

O=C1[C]NNC(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
CASP3 P42574 2/20 0.40
CASP7 P55210 2/20 0.40
CASP6 P55212 2/20 0.40
CASP8 Q14790 2/20 0.40
CASP2 P42575 1/20 0.40
KMT2A Q03164 3/20 0.35
CDC25B P30305 3/20 0.35
MEN1 O00255 2/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 2/20 0.34
PDGFRA P16234 1/20 0.34
FER P16591 1/20 0.34
LTK P29376 1/20 0.34
CDK8 P49336 1/20 0.34
ACVR1 Q04771 1/20 0.34
LRRK2 Q5S007 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33

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
SCHEMBL1551145 0.78 GSK3B (0.41) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL29651311 0.68 GSK3B (0.94) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL10974212 0.65 GSK3B (0.37) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL7771670 0.65 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL29366030 0.65 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL2095985 0.65 KMT2A (0.50) GSK3BKMT2ACDC25BMEN1MAOA
Phthalimide SCHEMBL30125197 0.65 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL64 0.65 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL11040503 0.65 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL10192661 0.65 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US claimed
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP claimed
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP claimed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US claimed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO claimed
US-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 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-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 GSK3B 1398/4885CASP3 3498/4885CASP7 4224/4885

“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.