SCHEMBL4094589

SCHEMBL4094589

C[C@H]1C[C@H](C)CN(CCCOc2ccc(Br)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
HRH3 Q9Y5N1 8/20 0.65
MAOB P27338 2/20 0.65
TDP1 Q9NUW8 2/20 0.63
RECQL P46063 1/20 0.63
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SIGMAR1 Q99720 2/20 0.50
RAB9A P51151 1/20 0.49
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47

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
SCHEMBL1777314 1.00 KDM4E (0.73) KDM4ESMN1; SMN2HRH3MAOBTDP1
SCHEMBL4094582 1.00 KDM4E (0.73) KDM4ESMN1; SMN2HRH3MAOBTDP1
SCHEMBL20652675 0.85 HRH3 (0.65) KDM4ESMN1; SMN2HRH3MAOBTDP1
SCHEMBL4094728 0.83 KDM4E (0.87) KDM4ESMN1; SMN2HRH3MAOBTDP1
SCHEMBL491637 0.82 HRH3 (0.72) KDM4ESMN1; SMN2HRH3MAOBTDP1
SCHEMBL491569 0.82 HRH3 (0.67) HRH3MAOBHRH2HRH1
SCHEMBL491568 0.82 HRH3 (0.67) HRH3MAOBHRH2HRH1
SCHEMBL4083966 0.82 HRH3 (0.72) KDM4ESMN1; SMN2HRH3MAOBTDP1
SCHEMBL491668 0.82 HRH3 (0.72) KDM4ESMN1; SMN2HRH3MAOBTDP1
SCHEMBL4093906 0.82 HRH3 (0.62) KDM4ESMN1; SMN2HRH3MAOBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO disclosed
EP-1717234-A1 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP disclosed
EP-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP 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 (1 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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH1 KDM4E 1385/4885SMN1; SMN2 2219/4885HRH3 1/4885

“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.