SCHEMBL1498047

SCHEMBL1498047

COc1ncc(-c2ccc([C@H]3C[C@@H]3CN3CCC[C@H]3C)cc2)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.40
KCNH2 Q12809 2/20 0.40
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
HSD11B1 P28845 1/20 0.37
PPARD Q03181 1/20 0.37
PDE10A Q9Y233 4/20 0.35
MTOR P42345 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ADRA2C P18825 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HDAC4 P56524 1/20 0.33
HTR3A P46098 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
SCHEMBL1498096 1.00 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL2831685 1.00 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL5140053 1.00 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL4892041 1.00 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL1498072 1.00 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL1506253 0.86 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL1506256 0.86 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL16390950 0.86 HRH3 (0.46) HRH3KCNH2KDM1AMAOAADRA2C
SCHEMBL1498087 0.86 HRH3 (0.46) HRH3KCNH2KDM1AMAOAADRA2C
SCHEMBL1498048 0.79 KDM1A (0.49) HRH3KCNH2KDM1AMAOAMAOB

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 14 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
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
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
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 HRH3 2/4885KCNH2 1770/4885QPCT 2505/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 949/4885QPCT 1270/4885

“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.