SCHEMBL4333283

SCHEMBL4333283

OCC1Oc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
POLB P06746 2/20 0.40
HTT P42858 2/20 0.39
MTNR1A P48039 1/20 0.37
PARP1 P09874 1/20 0.36
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
ALOX5 P09917 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 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
SCHEMBL6272291 0.80 CA2 (0.42) CA2POLBHTTMTNR1APARP1
SCHEMBL10980338 0.79 CA2 (0.36) CA2POLBHTTMAOAMAOB
SCHEMBL10977242 0.79 CA2 (0.36) CA2POLBHTTMAOAMAOB
SCHEMBL5320559 0.76 CA2 (0.47) CA2POLBHTTMTNR1APARP1
SCHEMBL4973068 0.76 CA2 (0.47) CA2POLBHTTMTNR1APARP1
SCHEMBL8220502 0.75 CYP1B1 (0.33)
SCHEMBL7616087 0.75 NISCH (0.53) CA2HTTMAOAMAOBNISCH
SCHEMBL4957850 0.75 LTA4H (0.42) CA2
SCHEMBL19122857 0.74 PARP1 (0.39) POLBHTTPARP1MAOAMAOB
SCHEMBL9423459 0.74 CA2 (0.45) CA2POLBHTTMTNR1APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805802-B1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LTD (GB) 2000-08-16 EP claimed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP claimed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO claimed
WO-2021123394-A1 G PROTEIN-COUPLED RECEPTOR MODULATORS AND A PHARMACEUTICAL COMPOSITION UNIVERSITY OF COPENHAGEN (DK) 2021-06-24 WO disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20050222164-A1 extra pyramidal syndrome, dystonia, restless leg syndrome or periodic limb movement in sleep; central nervous system diosrders; neurodegenerative diseases; attention deficit disorders; sedatives, antixiolytic and antiepileptic agents MERCK SHARP & DOHME LLC 2005-10-06 US disclosed
US-6897217-B2 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2005-05-24 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
WO-2004094431-A2 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO-[4,3-E]-1,2,4-TRIAZOLO-[1,5-C]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2004-11-04 WO disclosed
US-6124343-A Substituted phenyl compounds with a substituent having a thienyl ring RHONE-POULENC RORER LIMITED (GB) 2000-09-26 US disclosed
EP-0805802-B1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LTD (GB) 2000-08-16 EP disclosed
US-6048893-A Substituted phenyl compounds with a substituent having A 1,3-benzodioxole ring RHONE-POULENC RORER LIMITED (GB) 2000-04-11 US disclosed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP disclosed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 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 (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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 CA2 1745/4885POLB 4232/4885HTT 4028/4885
US-20050222164-A1 extra pyramidal syndrome, dystonia, restless leg syndrome or periodic limb movement in sleep; central nervous system diosrders; neurodegenerative diseases; attention deficit disorders; sedatives, antixiolytic and antiepileptic agents DRD3, DRD2, SLC6A3 CA2 3771/4885POLB 2657/4885HTT 274/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CA2 1733/4885POLB 2827/4885HTT 168/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 CA2 2224/4885POLB 4263/4885HTT 3248/4885

“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.