SCHEMBL3531316

SCHEMBL3531316

Cn1c(C(=O)c2ccc(Br)cc2)cnc1OCCCN1CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.80
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2D6 P10635 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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 0.89 HRH3 (1.00) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3535387 0.89 HRH3 (0.80) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3533980 0.88 HRH3 (0.78) HRH3KDM4EALDH1A1PSMB1PSMB5
SCHEMBL3531874 0.88 HRH3 (0.78) HRH3KDM4EALDH1A1CYP2D6PSMB1
SCHEMBL3531619 0.87 HRH3 (0.77) HRH3KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL3531242 0.83 HRH3 (0.89) HRH3PSMB1PSMB5PSMB2MEN1
SCHEMBL3532153 0.83 HRH3 (0.70) HRH3KDM4EALDH1A1
SCHEMBL3539411 0.82 HRH3 (0.70) HRH3PSMB1PSMB5PSMB2
SCHEMBL3534207 0.81 HRH3 (0.67) HRH3KDM4EALDH1A1CYP2D6MEN1
SCHEMBL1381406 0.81 HRH3 (0.81) HRH3KDM4EALDH1A1ATML3MBTL1

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 2308/4885KDM4E 838/4885ALDH1A1 2343/4885
US-20050250948-A1 Scalable synthesis of imidazole derivatives ABL1, NOS2, FLT3 HRH3 2308/4885KDM4E 838/4885ALDH1A1 2343/4885
US-20020198237-A1 Heterocyclic compounds HRH2, HRH4, HRH1 HRH3 4/4885KDM4E 3867/4885ALDH1A1 1526/4885
US-20040147577-A1 Heterocyclic compounds HRH2, HRH4, HRH1 HRH3 4/4885KDM4E 3867/4885ALDH1A1 1526/4885

“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.