SCHEMBL2829240

SCHEMBL2829240

OCC[C@H]1C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.61
HTR2B P41595 11/20 0.61
KDM1A O60341 5/20 0.48
MAOB P27338 4/20 0.48
KCNH2 Q12809 2/20 0.48
RCOR1 Q9UKL0 2/20 0.48
KDM1B Q8NB78 1/20 0.48
HTR2A P28223 8/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37

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
SCHEMBL2830644 1.00 HTR2C (0.61) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL2826045 0.84 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL4893904 0.84 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL2826042 0.84 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL7026793 0.81 HTR2C (0.59) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL13113993 0.81 HTR2C (0.59) HTR2CHTR2BMAOBHTR2ASLC6A2
SCHEMBL25262357 0.80 HTR2C (0.59) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL16685785 0.77 HTR2C (0.56) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL6250305 0.77 HTR2C (0.63) HTR2CHTR2BKDM1AMAOBHTR2A
SCHEMBL22334928 0.76 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2231631-A1 CYCLOPROPYL AMINE DERIVATIVES Abbott Laboratories (US) 2010-09-29 EP disclosed
WO-2009079225-A1 CYCLOPROPYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-06-25 WO 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 HTR2C 13/4885HTR2B 22/4885KDM1A 669/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 HTR2C 213/4885HTR2B 121/4885KDM1A 1513/4885

“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.