SCHEMBL1017720

SCHEMBL1017720

CN(C)Cc1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.39
NOS1 P29475 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
ENPP2 Q13822 2/20 0.35
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
HPGD P15428 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR1E P28566 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
Hydrochloric Acid SCHEMBL3324202 0.99 HTR7 (0.38) HTR7NOS1ALDH1A1TSHRLMNA
SCHEMBL3135413 0.86 ENPP2 (0.37) ENPP2LPLLIPG
SCHEMBL6698475 0.84 ENPP2 (0.53) TSHRF10ENPP2LPLLIPG
SCHEMBL3036815 0.83 ENPP2 (0.39) NOS1ALDH1A1F10ENPP2LPL
SCHEMBL3393899 0.82 HRH3 (0.40) HTR7NOS1ALDH1A1TSHRLMNA
SCHEMBL2316194 0.82 PRSS1 (0.39) LMNAENPP2LPLLIPG
Hydrochloric Acid SCHEMBL9280684 0.81 HRH3 (0.39) HTR7NOS1ALDH1A1TSHRLMNA
SCHEMBL3766770 0.80 CYP1A2 (0.45) ALDH1A1TSHRLMNAGAAENPP2
SCHEMBL22684756 0.78 ALDH1A1 (0.40) ALDH1A1TSHRF2F10ENPP2
SCHEMBL2509532 0.77 MC4R (0.44) ALDH1A1LMNAACHE

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-8013187-B2 2-cyclopenten-1-one oxime derivatives inhibiting production of TNF-α AMOREPACIFIC CORPORATION (KR) 2011-09-06 US disclosed
US-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors WYETH LLC (US) 2011-02-03 US disclosed
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
EP-2229376-A1 INDOLE-SUBSTITUTED 3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009076571-A1 INDOLE-SUBSTITUTED 3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha AMOREPACIFIC CORPORATION (KR) 2009-02-05 US disclosed
EP-1841729-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA Amorepacific Corporation (KR) 2007-10-10 EP disclosed
WO-2006059867-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORPORATION (KR) 2006-06-08 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 (5 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 HTR7 4029/4885NOS1 200/4885ALDH1A1 1337/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 HTR7 4029/4885NOS1 200/4885ALDH1A1 1337/4885
US-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors CNKSR1, CSNK1G3, GRK3 HTR7 1055/4885NOS1 110/4885ALDH1A1 3642/4885
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha TNF, PDE4A, PDE3B HTR7 3989/4885NOS1 9/4885ALDH1A1 370/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA HTR7 2294/4885NOS1 2914/4885ALDH1A1 3061/4885

“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.