SCHEMBL4089270

SCHEMBL4089270

C[C@@H]1C[C@@H](C)CN(CCCOc2ccc(C3CCC(=O)CC3)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.68
MAOB P27338 1/20 0.55
KCNH2 Q12809 4/20 0.51
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
HTR2A P28223 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL4089274 1.00 HRH3 (0.68) HRH3MAOBKCNH2KDM4EKMT2A
SCHEMBL4089271 1.00 HRH3 (0.68) HRH3MAOBKCNH2KDM4EKMT2A
SCHEMBL4094436 0.87 HRH3 (0.74) HRH3MAOBKCNH2KDM4ESMN1; SMN2
SCHEMBL4093998 0.84 HRH3 (0.56) HRH3MAOBKCNH2KDM4EKMT2A
SCHEMBL4093996 0.84 HRH3 (0.56) HRH3MAOBKCNH2KDM4EKMT2A
SCHEMBL4090519 0.82 HRH3 (0.97) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL4090232 0.82 HRH3 (0.71) HRH3MAOBKCNH2KDM4EKMT2A
SCHEMBL4609056 0.82 HRH3 (0.71) HRH3MAOBKCNH2KDM4EKMT2A
SCHEMBL4083780 0.82 HRH3 (0.71) HRH3MAOBKCNH2KDM4EKMT2A
SCHEMBL4090230 0.82 HRH3 (0.71) HRH3MAOBKCNH2KDM4EKMT2A

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 HRH3 1/4885MAOB 342/4885KCNH2 1031/4885

“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.