SCHEMBL3532836

SCHEMBL3532836

CN(C)CCCOc1ncc(C(=O)c2ccc(Cl)cc2)n1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.67
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3534462 0.81 HRH3 (1.00) HRH3ALDH1A1
SCHEMBL3531242 0.79 HRH3 (0.89) HRH3
SCHEMBL3532833 0.79 HRH3 (1.00) HRH3GAAHTTNPSR1ALDH1A1
SCHEMBL3535433 0.78 HRH3 (0.62) HRH3GAAHTTNPSR1ALDH1A1
SCHEMBL3532599 0.77 HRH3 (0.61) HRH3GAAHTTNPSR1ALDH1A1
SCHEMBL3532508 0.76 HRH3 (0.87) HRH3HTTNPSR1ALDH1A1LMNA
SCHEMBL13114081 0.76 HRH3 (0.70) HRH3
SCHEMBL3534460 0.74 HRH3 (0.54) HRH3HTTNPSR1ALDH1A1LMNA
SCHEMBL3530488 0.73 HTT (0.55) HRH3HTTNPSR1ALDH1A1LMNA
SCHEMBL16460607 0.72 NPC1 (0.55) HRH3HTTNPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747203-A4 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP claimed
US-7507756-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-24 US claimed
EP-1747203-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP claimed
WO-2005110998-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO claimed
US-20050250948-A1 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US claimed
US-7807837-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-10-05 US disclosed
US-20090143591-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-04 US disclosed
EP-1747203-A4 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP disclosed
US-7507756-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-24 US disclosed
EP-1373218-B9 IMIDAZOLYL DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS ORTHO MCNEIL JANSSEN PHARM (US) 2008-12-03 EP disclosed
EP-1373218-B1 IMIDAZOLYL DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2008-01-09 EP disclosed
US-7265135-B2 2-oxy, 2-amino, and 2-thio-imidazole compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 US disclosed
EP-1747203-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP disclosed
WO-2005110998-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
US-20050250948-A1 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US disclosed
US-20040147577-A1 Heterocyclic compounds BOGENSTAETTER MICHAEL (GB) 2004-07-29 US disclosed
EP-1373218-A1 IMIDAZOLYL DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS Ortho McNeil Pharmaceutical, Inc. (US) 2004-01-02 EP disclosed
US-20020198237-A1 Heterocyclic compounds ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-12-26 US disclosed
WO-2002079168-A1 IMIDAZOLYL DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-10 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 (4 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-20090143591-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES ABL1, NOS2, FLT3 HRH3 2308/4885GAA 2602/4885TSHR 3413/4885
US-20050250948-A1 Scalable synthesis of imidazole derivatives ABL1, NOS2, FLT3 HRH3 2308/4885GAA 2602/4885TSHR 3413/4885
US-20020198237-A1 Heterocyclic compounds HRH2, HRH4, HRH1 HRH3 4/4885GAA 2216/4885TSHR 1966/4885
US-20040147577-A1 Heterocyclic compounds HRH2, HRH4, HRH1 HRH3 4/4885GAA 2216/4885TSHR 1966/4885

“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.