SCHEMBL602044

SCHEMBL602044

Cc1ccc2oc(C(=O)N3CCN(C)CC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.52
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HTR2C P28335 1/20 0.44
PDE7B Q9NP56 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL603852 0.86 HRH4 (0.53) HRH4KDM4EALDH1A1HSD17B10GLA
SCHEMBL604155 0.86 HRH4 (0.62) HRH4ALDH1A1RAB9ANPC1KMT2A
SCHEMBL602623 0.82 HRH4 (0.57) HRH4KDM4EALDH1A1HSD17B10GLA
SCHEMBL604350 0.80 EPHX2 (0.48) HRH4
SCHEMBL606020 0.78 HRH4 (0.56) HRH4KDM4EALDH1A1RAB9AMEN1
SCHEMBL12271440 0.77 DRD2 (0.43) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL27593874 0.75 XDH (0.55) KDM4EALDH1A1HSD17B10GAARAB9A
SCHEMBL6499067 0.75 FAAH (0.49) HRH4KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL3611114 0.74 XDH (0.53) KDM4EALDH1A1HSD17B10GAARAB9A
SCHEMBL602170 0.74 HRH4 (0.49) HRH4KDM4EALDH1A1RAB9AMEN1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1694704-A Use of (1H-benzimidazole-2-yl)-(piperazineyl)- ketaderavitive and correlative compound used as histamine H4 receptor antagonist for the treatment of allergy and asthma JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 CN claimed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP claimed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US claimed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO claimed
US-10195195-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2019-02-05 US disclosed
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 EP disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
US-20170056397-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-03-02 US disclosed
EP-3130376-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-02-15 EP disclosed
US-9526725-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-12-27 US disclosed
EP-2382013-B1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-07-13 EP disclosed
US-20150176010-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2015-06-25 US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 US disclosed
EP-2010177-A2 COMBINATION HISTAMINE H1R AND H4R ANTAGONIST THERAPY FOR TREATING PRURITUS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 EP disclosed
WO-2007120690-A2 COMBINATION HISTAMINE H1R AND H4R ANTAGONIST THERAPY FOR TREATING PRURITUS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
CN-1694704-A Use of (1H-benzimidazole-2-yl)-(piperazineyl)- ketaderavitive and correlative compound used as histamine H4 receptor antagonist for the treatment of allergy and asthma JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 CN disclosed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP disclosed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US disclosed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 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 (2 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-20040058934-A1 Heterocyclic compounds HRH4, HRH2, HRH1 HRH4 1/4885KDM4E 2919/4885ALDH1A1 1575/4885
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 HRH4 1/4885KDM4E 1627/4885ALDH1A1 2882/4885

“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.