SCHEMBL3266196

SCHEMBL3266196

COc1ccc(OC)c(COc2cncc(Cl)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
ADRA1A P35348 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
DHFR P00374 3/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3272652 0.82 IDO1 (0.45) IDO1ADRA1ATAAR1SGMS2
SCHEMBL1993092 0.79 PDE2A (0.47) IDO1ALDH1A1MEN1KMT2A
SCHEMBL3266839 0.77 MAOB (0.49) IDO1DHFRHTR2AMAPT
SCHEMBL3266762 0.77 CYP11B1 (0.47)
SCHEMBL3267825 0.76 ABCB1 (0.47) ADRA1AHSP90AA1MAPTL3MBTL1
SCHEMBL3266578 0.76 ENPP2 (0.41) HTR2A
SCHEMBL3267292 0.76 HTR2C (0.54) IDO1HSD17B10HTR2AALDH1A1L3MBTL1
SCHEMBL9077414 0.75 IDO1 (0.50) IDO1ADRA1ATAAR1HSP90AA1HSP90AB1
SCHEMBL3268080 0.75 CYP11B2 (0.45)
SCHEMBL3267252 0.72 PDE2A (0.45) TAAR1HTR2AAOC3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 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 (2 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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 IDO1 1437/4885ADRA1A 261/4885TAAR1 1190/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 IDO1 1437/4885ADRA1A 261/4885TAAR1 1190/4885

“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.