SCHEMBL3570892

SCHEMBL3570892

CC1CN(C(=O)c2cc3scc(Br)c3[nH]2)CCN1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.54
CHRM1 P11229 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL604786 0.88 HRH4 (0.70) HRH4CHRM1TP53MAPTLMNA
SCHEMBL603704 0.83 HRH4 (0.76) HRH4HRH3
SCHEMBL3560847 0.82 HRH4 (0.53) HRH4TP53MAPTHRH3
SCHEMBL602615 0.76 HRH4 (0.55) HRH4HRH3
SCHEMBL601397 0.71 HRH4 (0.65) HRH4TP53MAPT
SCHEMBL3561398 0.70 HRH4 (1.00) HRH4
SCHEMBL13563107 0.70 HRH4 (0.70) HRH4CHRM1TP53MAPT
SCHEMBL1242725 0.68 DAO (0.61) HRH4LMNA
SCHEMBL2166626 0.67 HRH4 (0.70) HRH4HRH3
SCHEMBL1847169 0.66 XDH (0.54) HRH4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645758-B2 Heterocyclic compounds Janssen Pharmaceutica, N.Y. (BE) 2010-01-12 US claimed
US-20070185120-A1 Heterocyclic Compounds JANSSEN PHARMACEUTICA, N.V. 2007-08-09 US claimed
US-7645758-B2 Heterocyclic compounds Janssen Pharmaceutica, N.Y. (BE) 2010-01-12 US disclosed
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 US disclosed
US-20070185131-A1 Heterocyclic Compounds JANSSEN PHARMACEUTICA, N.V. 2007-08-09 US disclosed
US-20070185120-A1 Heterocyclic Compounds JANSSEN PHARMACEUTICA, N.V. 2007-08-09 US disclosed
US-7226938-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2007-06-05 US disclosed
EP-1543011-B1 THIENOPYRROLYL AND FURANOPYRROLYL COMPOUNDS AND THEIR USE AS HISTAMINE H4 RECEPTOR LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2006-05-03 EP disclosed
EP-1543011-A2 THIENOPYRROLYL AND FURANOPYRROLYL COMPOUNDS AND THEIR USE AS HISTAMINE H4 RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-22 EP disclosed
WO-2004022537-A2 THIENOPYRROLYL AND FURANOPYRROLYL COMPOUNDS AND THEIR USE AS HISTAMINE H4 RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO disclosed
US-20040048878-A1 Cyclopentathienopyrroles and cyclopentafuranopyrroles for treating disorders and conditions mediated by the histamine H4 receptor, including allergic rhinitis. JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-11 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 (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-20040048878-A1 Cyclopentathienopyrroles and cyclopentafuranopyrroles for treating disorders and conditions mediated by the histamine H4 receptor, including allergic rhinitis. HRH4, HRH2, HRH1 HRH4 1/4885CHRM1 470/4885TP53 3337/4885
US-20070185131-A1 Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885CHRM1 320/4885TP53 2547/4885
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 HRH4 1/4885CHRM1 85/4885TP53 3442/4885
US-20070185120-A1 Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885CHRM1 320/4885TP53 2547/4885

“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.