SCHEMBL4890488

SCHEMBL4890488

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.52
MAOB P27338 5/20 0.52
KCNH2 Q12809 2/20 0.52
RCOR1 Q9UKL0 2/20 0.52
KDM1B Q8NB78 1/20 0.52
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
MAOA P21397 2/20 0.38
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 1/20 0.34
CYP2A6 P11509 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL2827113 1.00 KDM1A (0.52) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL5139636 1.00 KDM1A (0.52) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL2324658 0.79 KDM1A (0.52) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL2827719 0.79 KDM1A (0.52) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL2854689 0.79 KDM1A (0.52) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL3189760 0.78 MAOB (0.48) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL3189756 0.78 MAOB (0.48) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL13198309 0.75 HTR2C (0.49) KDM1AMAOBRCOR1HTR2CMAOA
SCHEMBL12714990 0.75 HTR2C (0.59) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL14396383 0.75 HTR2C (0.59) KDM1AMAOBKCNH2RCOR1KDM1B

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 5 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
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 (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 669/4885MAOB 148/4885KCNH2 1770/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 KDM1A 1513/4885MAOB 147/4885KCNH2 949/4885

“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.