SCHEMBL853230

SCHEMBL853230

CC1=NN(C2CCCC2)C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
CES2 O00748 2/20 0.38
ALDH1A1 P00352 8/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
PTGS1 P23219 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 2/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL853994 0.98 GAA (0.46) GAATDP1CES2ALDH1A1MAPT
SCHEMBL855206 0.98 GAA (0.46) GAATDP1CES2ALDH1A1MAPT
SCHEMBL5234963 0.85 GAA (0.40) GAATDP1ALDH1A1MAPTKMT2A
SCHEMBL854998 0.83 GAA (0.39) GAATDP1ALDH1A1MAPTKMT2A
SCHEMBL853966 0.83 GAA (0.36) GAATDP1ALDH1A1MAPTKMT2A
SCHEMBL4859801 0.80 TDP1 (0.37) GAATDP1ALDH1A1MAPTKMT2A
SCHEMBL31327082 0.74 GAA (0.38) GAATDP1ALDH1A1MAPTKMT2A
SCHEMBL7400810 0.71 ALDH1A1 (0.36) GAACES2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16050086 0.67 GAA (0.49) GAATDP1ALDH1A1MAPTKMT2A
SCHEMBL24517944 0.67 CES2 (0.35) CES2ALDH1A1KMT2AMEN1TSHR

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11090288-B2 Pyrazole derivatives and their uses thereof UNIVERSITY HEALTH NETWORK (CA) 2021-08-17 US disclosed
US-20190022066-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2019-01-24 US disclosed
EP-2970138-B1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF CANADIAN BLOOD SERVICES (CA) 2019-01-16 EP disclosed
EP-2970138-B1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF CANADIAN BLOOD SERVICES (CA) 2019-01-16 EP disclosed
US-10130609-B2 Pyrazole derivatives and their uses thereof UNIVERSITY HEALTH NETWORK (CA) 2018-11-20 US disclosed
US-20160022640-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF CANADIAN BLOOD SERVICES (CA) 2016-01-28 US disclosed
US-20160022640-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF CANADIAN BLOOD SERVICES (CA) 2016-01-28 US disclosed
US-20160022640-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF CANADIAN BLOOD SERVICES (CA) 2016-01-28 US disclosed
EP-2970138-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF Canadian Blood Services (CA) 2016-01-20 EP disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO 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 (6 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-10130609-B2 Pyrazole derivatives and their uses thereof SSB, HLA-DRB1, U2AF1 GAA 3034/4885TDP1 708/4885CES2 4121/4885
US-11090288-B2 Pyrazole derivatives and their uses thereof SSB, HLA-DRB1, U2AF1 GAA 3393/4885TDP1 862/4885CES2 4226/4885
US-20160022640-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF SSB, HLA-DRB1, U2AF1 GAA 3034/4885TDP1 708/4885CES2 4121/4885
US-20190022066-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF SSB, HLA-DRB1, U2AF1 GAA 3393/4885TDP1 862/4885CES2 4226/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B GAA 3005/4885TDP1 811/4885CES2 1069/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A GAA 2942/4885TDP1 1243/4885CES2 2699/4885

“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.