SCHEMBL2241920

SCHEMBL2241920

c1ccc2[nH]c(N3CCCCCC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 1.00
ACHE P22303 2/20 1.00
HTR3A P46098 1/20 0.73
TP53 P04637 3/20 0.71
TRPC3 Q13507 1/20 0.67
RAB9A P51151 3/20 0.63
MAPT P10636 3/20 0.63
GFER P55789 3/20 0.62
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 2/20 0.62
HPGD P15428 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.55
SORD Q00796 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL717865 1.00 BCHE (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2676103 0.98 BCHE (0.96) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2674037 0.95 BCHE (0.90) BCHEACHEHTR3ATP53TRPC3
SCHEMBL8880315 0.88 HTR3A (0.82) BCHEACHEHTR3ATP53TRPC3
SCHEMBL3075702 0.85 HTR3A (0.88) BCHEACHEHTR3ATP53TRPC3
Bromide SCHEMBL6599072 0.84 HTR3A (0.85) BCHEACHEHTR3ATP53TRPC3
SCHEMBL25809621 0.84 BCHE (0.72) BCHEACHEHTR3ATP53TRPC3
SCHEMBL531762 0.84 HTR3A (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL4674485 0.84 BCHE (0.73) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2674838 0.83 TP53 (1.00) BCHEACHEHTR3ATP53TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101600717-B 2- piperazin-1-yl-3h-imidazo[4,5-b]pyridine derivatives JANSSEN PHARMACEUTICA NV 2013-03-13 CN disclosed
EP-2121683-B1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2011-08-31 EP disclosed
US-7994173-B2 2-piperazin-1-yl-3H-imidazo[4,5-b]pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-09 US disclosed
US-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
CN-101600717-A 2-piperazine-1-base-3H-imidazo [4,5-B] pyridine derivate JANSSEN PHARMACEUTICA NV (BE) 2009-12-09 CN disclosed
EP-2121683-A2 2- PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2009-11-25 EP disclosed
WO-2008090200-A2 2- PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2008-07-31 WO disclosed
US-7304052-B2 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUITCA N.V. (BE) 2007-12-04 US disclosed
CN-100343251-C Substituted homopiperidinyl benzimidazole compounds, pharmaceutical compositions containing them, process for preparing them and their use as medicaments JANSSEN PHARMACEUTICA NV (BE) 2007-10-17 CN disclosed
CN-100343251-C Substituted homopiperidinyl benzimidazole compounds, pharmaceutical compositions containing them, process for preparing them and their use as medicaments JANSSEN PHARMACEUTICA NV (BE) 2007-10-17 CN disclosed
US-20030139393-A1 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-24 US disclosed
CN-1411460-A Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUTICA NV (BE) 2003-04-16 CN disclosed
CN-1411460-A Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUTICA NV (BE) 2003-04-16 CN disclosed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 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 (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-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES PDE3A, PDE3B, PTGIS BCHE 2443/4885ACHE 74/4885HTR3A 326/4885
US-20030139393-A1 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants HRH2, CBR1, HTR1D BCHE 3535/4885ACHE 1181/4885HTR3A 35/4885

“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.