SCHEMBL1096642

SCHEMBL1096642

O=C1NC=C[N]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ LMNA P02545 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP2 P42575 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAOA P21397 3/20 0.32
▸ LRRK2 Q5S007 2/20 0.32
▸ DYRK1B Q9Y463 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FER P16591 1/20 0.32
▸ LTK P29376 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CDC25B P30305 3/20 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
SCHEMBL10708199 0.71 GSK3B (0.38) GSK3BLMNAMAPTCASP3CASP2
SCHEMBL10708204 0.71 GSK3B (0.38) GSK3BLMNAMAPTCASP3CASP2
SCHEMBL451291 0.70 GRK6 (0.32) MAPTGAA
SCHEMBL223037 0.68 CDC25B (0.50) GSK3BLMNAMAPTCASP7MAOA
SCHEMBL25254110 0.68 CDC25B (0.50) GSK3BLMNAMAPTCASP7MAOA
SCHEMBL209273 0.68 KDM4E (0.46) GSK3BLMNAMAPTCASP3CASP2
SCHEMBL1096641 0.68 MAOA (0.36) GSK3BLMNAMAPTMAOALRRK2
SCHEMBL554699 0.66 — —
SCHEMBL168935 0.66 PDGFRA (0.52) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL20504712 0.66 GSK3B (0.44) GSK3BLMNAMAPTCASP3CASP2

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 17 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
EP-2049472-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS Abbott Laboratories (US) 2009-04-22 — — EP 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
WO-2007150010-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2007-12-27 — — WO 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 GSK3B 2143/4885LMNA 4566/4885MAPT 178/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 GSK3B 3697/4885LMNA 3484/4885MAPT 2179/4885
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 GSK3B 4160/4885LMNA 3397/4885MAPT 2328/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 GSK3B 4160/4885LMNA 3397/4885MAPT 2328/4885

“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.

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