SCHEMBL1498048

SCHEMBL1498048

COc1ccc(-c2ccc([C@H]3C[C@@H]3CN3CCC[C@H]3C)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
HRH3 Q9Y5N1 12/20 0.42
HTR3A P46098 3/20 0.39
NAAA Q02083 1/20 0.38
MAOB P27338 1/20 0.37
KCNH2 Q12809 2/20 0.37
CD274 Q9NZQ7 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
SCHEMBL1498087 0.88 HRH3 (0.46) KDM1AMAOAHRH3HTR3AKCNH2
SCHEMBL16390950 0.88 HRH3 (0.46) KDM1AMAOAHRH3HTR3AKCNH2
SCHEMBL4892953 0.81 HRH3 (0.45) KDM1AHRH3KCNH2
SCHEMBL1498079 0.81 HRH3 (0.45) KDM1AHRH3KCNH2
SCHEMBL2829438 0.81 HRH3 (0.45) KDM1AHRH3KCNH2
SCHEMBL1498035 0.81 HRH3 (0.45) KDM1AHRH3KCNH2
SCHEMBL1498101 0.81 HRH3 (0.45) KDM1AHRH3KCNH2
SCHEMBL1498072 0.79 HRH3 (0.40) KDM1AMAOAHRH3HTR3AMAOB
SCHEMBL1498047 0.79 HRH3 (0.40) KDM1AMAOAHRH3HTR3AMAOB
SCHEMBL1498096 0.79 HRH3 (0.40) KDM1AMAOAHRH3HTR3AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049472-B1 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBVIE BAHAMAS LTD (BS) 2015-01-21 EP claimed
US-8829041-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2014-09-09 US claimed
JP-2011506456-A 2011-03-03 JP claimed
EP-2231631-A1 CYCLOPROPYL AMINE DERIVATIVES Abbott Laboratories (US) 2010-09-29 EP claimed
WO-2009079225-A1 CYCLOPROPYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-06-25 WO claimed
EP-2049472-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS Abbott Laboratories (US) 2009-04-22 EP claimed
US-20080242653-A1 Cyclopropyl amine derivatives ABBVIE INC. 2008-10-02 US claimed
US-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis ABBVIE INC. 2008-01-24 US claimed
WO-2007150010-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2007-12-27 WO claimed
US-9108948-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2015-08-18 US disclosed
EP-2049472-B1 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBVIE BAHAMAS LTD (BS) 2015-01-21 EP disclosed
US-8829041-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2014-09-09 US disclosed
EP-2049472-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS Abbott Laboratories (US) 2009-04-22 EP disclosed
US-20080242653-A1 Cyclopropyl amine derivatives ABBVIE INC. 2008-10-02 US disclosed
US-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis ABBVIE INC. 2008-01-24 US disclosed
WO-2007150010-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2007-12-27 WO 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 (2 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-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis HRH4, HRH3, HNMT KDM1A 669/4885MAOA 103/4885HRH3 2/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 KDM1A 1513/4885MAOA 231/4885HRH3 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.