SCHEMBL4084267

SCHEMBL4084267

C[C@@H]1C[C@@H](C)CN(CCCOc2ccc(C(=O)N3CCCC3)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.72
HPGD P15428 4/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
DRD2 P14416 1/20 0.61
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL12050654 1.00 HRH3 (0.72) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL12050600 0.84 HRH3 (0.60) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL492475 0.84 HRH2 (0.64) HRH3KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL492041 0.84 HRH2 (0.64) HRH3KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL4094705 0.84 HRH2 (0.64) HRH3KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL4597058 0.84 HRH2 (0.64) HRH3KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL492040 0.84 HRH2 (0.64) HRH3KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL12050598 0.84 KDM4E (0.63) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4621668 0.83 HRH3 (0.70) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL4619979 0.83 HRH3 (0.70) HRH3HPGDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US claimed
EP-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP claimed
EP-1717234-A1 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP claimed
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-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 HRH3 1/4885HPGD 654/4885ALDH1A1 1986/4885

“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.