SCHEMBL855383

SCHEMBL855383

Nc1ccc(N2CCC3(CC2)OCCO3)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 4/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LGMN Q99538 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
NR4A1 P22736 1/20 0.37
PTK2B Q14289 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAD52 P43351 1/20 0.36
TP53 P04637 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
SCHEMBL31312959 1.00 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1LMNAGFER
SCHEMBL1749853 0.91 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1LMNAGFER
SCHEMBL14485084 0.84 NPC1 (0.52) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL31312874 0.83 MAPT (0.64) ALDH1A1MAPTLMNATDP1LGMN
SCHEMBL854657 0.83 MAPT (0.64) ALDH1A1MAPTLMNATDP1LGMN
SCHEMBL24880834 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL10127901 0.82 MAPT (0.59) ALDH1A1MAPTLMNAGFERLGMN
SCHEMBL17543165 0.82 ATM (0.48) ALDH1A1MAPTLMNATDP1LGMN
SCHEMBL31312869 0.82 MAPT (0.59) ALDH1A1MAPTLMNAGFERLGMN
SCHEMBL29931972 0.82 ATM (0.48) ALDH1A1MAPTLMNATDP1LGMN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
EP-1286998-B2 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2007-10-31 EP 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
US-7141583-B2 Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2006-11-28 US disclosed
EP-1286998-B1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2004-06-09 EP disclosed
US-20030216373-A1 Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
US-6617339-B1 5-Isoxazolyloxymethyl-3-((dihydroxypropanoyl)-4-tetrahydropyri dyl-3,5- difluorophenyl)oxazolidinone, or the phosphated derivative or its disodium salt; antibiotic with useful activity against Grampositive pathogens SYNGENTA LIMITED (GB) 2003-09-09 US disclosed
US-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them SYNGENTA LIMITED (GB) 2003-07-31 US disclosed
EP-1082323-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca UK Limited (GB) 2001-03-14 EP disclosed
WO-1999064417-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 1999-12-16 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 (3 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885MAPT 4119/4885MAPK1 825/4885
US-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them CYP3A5, CYP2D6, OXA1L ALDH1A1 3134/4885MAPT 4796/4885MAPK1 3860/4885
US-20030216373-A1 Oxazolidinone derivatives with antibiotic activity STS, SULT1E1, OXA1L ALDH1A1 2884/4885MAPT 4848/4885MAPK1 2976/4885

“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.