SCHEMBL4101089

SCHEMBL4101089

COC(=O)c1ccc(OCCCN2C[C@@H](C)C[C@H](C)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.66
MAPT P10636 2/20 0.57
HRH3 Q9Y5N1 7/20 0.57
MAOB P27338 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
RAB9A P51151 1/20 0.52
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
DRD2 P14416 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4101085 1.00 KDM4E (0.66) KDM4EKMT2AMEN1ALDH1A1HTT
SCHEMBL4101087 1.00 KDM4E (0.66) KDM4EKMT2AMEN1ALDH1A1HTT
SCHEMBL3824026 0.88 KDM4E (0.64) KDM4EKMT2AMEN1ALDH1A1HTT
SCHEMBL492041 0.87 HRH2 (0.64) KDM4EKMT2AHRH3MAOBSMN1; SMN2
SCHEMBL4094705 0.87 HRH2 (0.64) KDM4EKMT2AHRH3MAOBSMN1; SMN2
SCHEMBL492475 0.87 HRH2 (0.64) KDM4EKMT2AHRH3MAOBSMN1; SMN2
SCHEMBL492040 0.87 HRH2 (0.64) KDM4EKMT2AHRH3MAOBSMN1; SMN2
SCHEMBL4597058 0.87 HRH2 (0.64) KDM4EKMT2AHRH3MAOBSMN1; SMN2
SCHEMBL12050598 0.87 KDM4E (0.63) KDM4EKMT2AMEN1ALDH1A1HTT
SCHEMBL12050600 0.87 HRH3 (0.60) KDM4EKMT2AMEN1ALDH1A1HTT

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-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP disclosed
EP-1717234-A1 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 1385/4885KMT2A 424/4885MEN1 1376/4885

“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.