SCHEMBL776339

SCHEMBL776339

CC1CCCN1C[C@H]1C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
KDM1A O60341 6/20 0.40
HRH3 Q9Y5N1 10/20 0.38
KCNH2 Q12809 2/20 0.38
MAOB P27338 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
KDM1B Q8NB78 1/20 0.38

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
SCHEMBL2878523 1.00 HTR2C (0.47) HTR2CHTR2BKDM1AHRH3KCNH2
SCHEMBL4889853 1.00 HTR2C (0.47) HTR2CHTR2BKDM1AHRH3KCNH2
SCHEMBL2878525 1.00 HTR2C (0.47) HTR2CHTR2BKDM1AHRH3KCNH2
SCHEMBL4889856 1.00 HTR2C (0.47) HTR2CHTR2BKDM1AHRH3KCNH2
SCHEMBL4886650 1.00 HTR2C (0.47) HTR2CHTR2BKDM1AHRH3KCNH2
SCHEMBL4896173 1.00 HTR2C (0.47) HTR2CHTR2BKDM1AHRH3KCNH2
SCHEMBL4886693 1.00 HTR2C (0.47) HTR2CHTR2BKDM1AHRH3KCNH2
SCHEMBL776338 1.00 HTR2C (0.47) HTR2CHTR2BKDM1AHRH3KCNH2
SCHEMBL799526 1.00 HTR2C (0.47) HTR2CHTR2BKDM1AHRH3KCNH2
SCHEMBL5108946 0.86 HTR2C (0.45) HTR2CHTR2BHRH3

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
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-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-8829041-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2014-09-09 US disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 HTR2C 174/4885HTR2B 210/4885KDM1A 1116/4885

“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.