SCHEMBL1867827

SCHEMBL1867827

COCCNCc1cccc(C#CCCN2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 18/20 0.44
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL12666433 0.81 HRH3 (0.50) HRH3KDM4EALDH1A1CYP3A4HPGD
SCHEMBL1857487 0.78 HRH3 (0.54) HRH3KMT2A
SCHEMBL1861242 0.72 HRH3 (0.60) HRH3KMT2A
SCHEMBL26192208 0.66 HRH3 (0.41) HRH3HRH2HRH1KDM4EKMT2A
SCHEMBL106758 0.66 L3MBTL1 (0.43) KDM4EALDH1A1KMT2A
SCHEMBL171991 0.66 SMN1; SMN2 (0.40) KDM4EALDH1A1
SCHEMBL13451316 0.64 TDP1 (0.49) HRH3ALDH1A1KMT2A
SCHEMBL17828027 0.64 L3MBTL1 (0.48) KDM4EALDH1A1
SCHEMBL29550640 0.63 HRH3 (0.52) HRH3HRH2HRH1KMT2A
SCHEMBL20333216 0.62 CARM1 (0.50) HRH3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423147-B2 Pyridine compounds as histamine H3 modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-09-09 — — US claimed
EP-1761496-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-14 — — EP claimed
WO-2005097751-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 — — WO claimed
US-20050222151-A1 Non-Imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 — — US claimed
US-7947718-B2 Isoxazole compounds as histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 — — US disclosed
US-7947718-B2 Isoxazole compounds as histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 — — US disclosed
US-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 — — US disclosed
US-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 — — US disclosed
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-11 — — US disclosed
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-11 — — US disclosed
US-7423147-B2 Pyridine compounds as histamine H3 modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-09-09 — — US disclosed
US-7423147-B2 Pyridine compounds as histamine H3 modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-09-09 — — US disclosed
EP-1761496-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-14 — — EP disclosed
WO-2005097751-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 — — WO disclosed
US-20050222151-A1 Non-Imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 — — 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-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators HRH3, HRH4, HRH1 HRH3 1/4885HRH2 4/4885HRH1 3/4885
US-20050222151-A1 Non-Imidazole heterocyclic compounds HRH3, HRH4, HRH2 HRH3 1/4885HRH2 3/4885HRH1 4/4885
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 HRH3 1/4885HRH2 3/4885HRH1 4/4885

“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.

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