SCHEMBL2425933

SCHEMBL2425933

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
GAA P10253 2/20 0.36
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
KCNH2 Q12809 2/20 0.35
BTK Q06187 8/20 0.34
HPGD P15428 2/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
FASN P49327 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL3473311 0.92 GFER (0.35) GFERGAAPDE4DPDE7AHRH3
SCHEMBL222743 0.81 ALDH1A1 (0.33) GAAHRH3ALDH1A1
SCHEMBL2421094 0.81 ALDH1A1 (0.33) GAAHRH3ALDH1A1
Cyclohexane SCHEMBL2428515 0.79 HRH3 (0.40) HRH3KCNH2NPC1RAB9A
SCHEMBL223649 0.76 KCNH2 (0.46) GAAHRH3KCNH2ALDH1A1MAPT
SCHEMBL2428638 0.75 HRH3 (0.38) HRH3KCNH2NPC1MAPTRAB9A
SCHEMBL2421213 0.75 KMT2A (0.44) HRH3ALDH1A1KDM4EMEN1NPC1
SCHEMBL220849 0.74 HRH3 (0.38) HRH3KCNH2HPGDALDH1A1KDM4E
SCHEMBL222631 0.74 RAB9A (0.47) HRH3ALDH1A1KDM4EMEN1NPC1
SCHEMBL3653320 0.73 GFER (0.39) GFERGAAPDE4DPDE7AMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US claimed
EP-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP claimed
EP-2212283-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP claimed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US claimed
WO-2009052062-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
US-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US disclosed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 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 (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-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 GFER 990/4885GAA 3600/4885PDE4D 3575/4885

“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.