SCHEMBL3560847

SCHEMBL3560847

CC1CN(C(=O)c2cc3scc(Br)c3[nH]2)CCN1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.53
TP53 P04637 2/20 0.39
MDM2 Q00987 1/20 0.39
REN P00797 1/20 0.36
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
PAK4 O96013 1/20 0.34
PAK1 Q13153 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 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
SCHEMBL601397 0.88 HRH4 (0.65) HRH4TP53MDM2MAPT
SCHEMBL602615 0.85 HRH4 (0.55) HRH4KMT2AHRH3
SCHEMBL3570892 0.82 HRH4 (0.54) HRH4TP53MAPTHRH3
SCHEMBL603704 0.79 HRH4 (0.76) HRH4HRH3
SCHEMBL603983 0.78 HRH4 (0.65) HRH4TP53MDM2MEN1POLB
SCHEMBL602208 0.78 HRH4 (0.52) HRH4TP53MDM2
SCHEMBL602207 0.74 HRH4 (0.76) HRH4HRH3
SCHEMBL6141962 0.72 HRH4 (0.64) HRH4TP53MAPT
SCHEMBL604786 0.71 HRH4 (0.70) HRH4TP53MAPT
SCHEMBL604296 0.69 HRH4 (1.00) HRH4POLBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014130759-A1 METHODS OF USING HISTAMINE RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF ROCHESTER (US) 2014-08-28 WO claimed
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-20160000777-A1 METHODS OF USING HISTAMINE RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF ROCHESTER (US) 2016-01-07 US disclosed
WO-2014130759-A1 METHODS OF USING HISTAMINE RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF ROCHESTER (US) 2014-08-28 WO disclosed
US-7645758-B2 Heterocyclic compounds Janssen Pharmaceutica, N.Y. (BE) 2010-01-12 US disclosed
EP-1685406-A4 ANALYZING HISTAMINE H sb 4 /sb RECEPTOR-MEDIATED EFFECTS IN WHOLE BLOOD JANSSEN PHARMACEUTICA NV (BE) 2008-11-12 EP disclosed
US-20080102476-A1 Analyzing Histamine H4 Receptor-Mediated Effects In Whole Blood KARLSSON LARS 2008-05-01 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-1685406-A2 ANALYZING HISTAMINE H sb 4 /sb RECEPTOR-MEDIATED EFFECTS IN WHOLE BLOOD Janssen Pharmaceutica N.V. (BE) 2006-08-02 EP 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-1545596-A4 USE OF HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ALLERGY AND ASTHMA JANSSEN PHARMACEUTICA NV (BE) 2005-12-28 EP disclosed
EP-1545596-A2 USE OF HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ALLERGY AND ASTHMA JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 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-2005031308-A2 ANALYZING HISTAMINE H4 RECEPTOR-MEDIATED EFFECTS IN WHOLE BLOOD JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-07 WO disclosed
WO-2004021999-A2 USE OF HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ALLERGY AND ASTHMA JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO 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 (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-20040048878-A1 Cyclopentathienopyrroles and cyclopentafuranopyrroles for treating disorders and conditions mediated by the histamine H4 receptor, including allergic rhinitis. HRH4, HRH2, HRH1 HRH4 1/4885TP53 3337/4885MDM2 3957/4885
US-20070185131-A1 Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885TP53 2547/4885MDM2 2387/4885
US-20070185120-A1 Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885TP53 2547/4885MDM2 2387/4885

“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.