SCHEMBL3533257

SCHEMBL3533257

CC(C)N1CCC(N2CCC(COc3ncc(C(=O)c4ccc(Br)cc4)n3C)CC2)CC1

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.89
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
CCR3 P51677 2/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL1384234 0.94 HRH3 (1.00) HRH3HTTADORA2A
SCHEMBL3539806 0.89 HRH3 (0.72) HRH3L3MBTL3L3MBTL1ADORA2A
SCHEMBL1381991 0.86 HRH3 (0.84) HRH3HTTADORA2A
SCHEMBL3539801 0.85 HRH3 (0.82) HRH3HTTADORA2A
SCHEMBL1383657 0.85 HRH3 (1.00) HRH3HTT
SCHEMBL1382602 0.85 HRH3 (1.00) HRH3
SCHEMBL3532958 0.85 HRH3 (1.00) HRH3HTT
SCHEMBL3539976 0.84 HRH3 (0.81) HRH3ADORA2A
SCHEMBL3534195 0.83 HRH3 (0.79) HRH3HTT
SCHEMBL3531816 0.82 HRH3 (0.77) HRH3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20040147577-A1 Heterocyclic compounds BOGENSTAETTER MICHAEL (GB) 2004-07-29 US disclosed
US-20020198237-A1 Heterocyclic compounds ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-12-26 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 (3 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 2308/4885L3MBTL3 3448/4885L3MBTL1 4177/4885
US-20020198237-A1 Heterocyclic compounds HRH2, HRH4, HRH1 HRH3 4/4885L3MBTL3 4822/4885L3MBTL1 4880/4885
US-20040147577-A1 Heterocyclic compounds HRH2, HRH4, HRH1 HRH3 4/4885L3MBTL3 4822/4885L3MBTL1 4880/4885

“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.