SCHEMBL2995809

SCHEMBL2995809

O=C1C[N]C(=O)c2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.56
GABRA5 P31644 4/20 0.56
GABRA3 P34903 4/20 0.56
GABRA2 P47869 4/20 0.56
GABRB2 P47870 4/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
LRRK2 Q5S007 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA4 P48169 1/20 0.43

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
SCHEMBL1206682 0.76 ALDH1A1 (0.50) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL29391065 0.74 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3259073 0.74 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3259068 0.74 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2262850 0.74 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3962556 0.72 NOS2 (0.50) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL29979594 0.72 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL1365706 0.72 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8801062 0.70 GABRA1 (0.56) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL1050699 0.69 AHR (0.57) GABRA1GABRA5GABRA3GABRA2GABRB2

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
EP-2205558-B1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS SANOFI SA (FR) 2012-07-25 EP claimed
US-8227504-B2 Substituted N-phenyl-pyrrolidinylmethylpyrrolidine amides and therapeutic use thereof SANOFI (FR) 2012-07-24 US claimed
EP-2205558-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS Sanofi-Aventis (FR) 2010-07-14 EP claimed
US-20100173898-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US claimed
WO-2009052063-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS SANOFI-AVENTIS (FR) 2009-04-23 WO claimed
EP-2205558-B1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS SANOFI SA (FR) 2012-07-25 EP disclosed
US-8227504-B2 Substituted N-phenyl-pyrrolidinylmethylpyrrolidine amides and therapeutic use thereof SANOFI (FR) 2012-07-24 US disclosed
EP-2205558-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS Sanofi-Aventis (FR) 2010-07-14 EP disclosed
US-20100173898-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
WO-2009052063-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS 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-20100173898-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 GABRA1 249/4885GABRA5 269/4885GABRA3 288/4885

“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.