SCHEMBL1096641

SCHEMBL1096641

O=C1[N]C=CNc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
PDGFRA P16234 1/20 0.36
FER P16591 1/20 0.36
LTK P29376 1/20 0.36
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36
LRRK2 Q5S007 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 2/20 0.33
PDE7A Q13946 1/20 0.33
PDE7B Q9NP56 1/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CDC25B P30305 2/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL168935 0.70 PDGFRA (0.52) MAOAMAOBPDGFRAFERLTK
SCHEMBL451291 0.70 GRK6 (0.32) MAPTPLAU
SCHEMBL224606 0.68 MEN1 (0.45) MAOAMAOBSMN1; SMN2GSK3BMEN1
SCHEMBL27459327 0.68
SCHEMBL28023171 0.68 MAPT (0.32) ALDH1A1KDM4EMAPTMAPK1NPSR1
SCHEMBL30030411 0.68 IDO1 (0.32) KMT2APLAU
SCHEMBL27368384 0.68 IDO1 (0.32) KMT2APLAU
SCHEMBL1096642 0.68 GSK3B (0.38) MAOAMAOBPDGFRAFERLTK
SCHEMBL3590696 0.68 CDC25B (0.44) MAOAMAOBPDGFRAFERLTK
SCHEMBL16486471 0.67 MAPT (0.34) MEN1KMT2AALDH1A1KDM4EHSD17B10

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 15 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
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
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 US disclosed
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-06-28 US disclosed
US-8153813-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBOTT LABORATORIES (US) 2012-04-10 US disclosed
EP-2237779-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2010-10-13 EP disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 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 (4 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 MAOA 103/4885MAOB 148/4885PDGFRA 418/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 MAOA 231/4885MAOB 147/4885PDGFRA 210/4885
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 MAOA 316/4885MAOB 314/4885PDGFRA 569/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 MAOA 316/4885MAOB 314/4885PDGFRA 569/4885

“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.