SCHEMBL3535387

SCHEMBL3535387

Cn1c(C(=O)c2ccccc2)cnc1OCCCN1CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.80
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 5/20 0.59
HRH4 Q9H3N8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
LTA4H P09960 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ESR1 P03372 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3531619 0.93 HRH3 (0.77) HRH3KDM4EALDH1A1HRH4BCHE
SCHEMBL3531874 0.90 HRH3 (0.78) HRH3KDM4EALDH1A1ESR1MAPT
SCHEMBL3532153 0.89 HRH3 (0.70) HRH3KDM4EALDH1A1HRH4
SCHEMBL3534462 0.89 HRH3 (1.00) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3531316 0.89 HRH3 (0.80) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3533980 0.88 HRH3 (0.78) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3535594 0.85 HRH3 (0.66) HRH3KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3535705 0.83 HRH3 (0.62) HRH3BCHEACHEMAPT
SCHEMBL3531242 0.83 HRH3 (0.89) HRH3LTA4HMEN1KMT2AESR1
SCHEMBL3534207 0.83 HRH3 (0.67) HRH3KDM4EALDH1A1SMN1; SMN2MEN1

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.