SCHEMBL3267322

SCHEMBL3267322

OCCOc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
IDO1 P14902 1/20 0.37
SYK P43405 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GCK P35557 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
NMUR2 Q9GZQ4 1/20 0.36
DHPS P49366 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
BCHE P06276 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 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
SCHEMBL21595767 0.86 KMT2A (0.42) ALDH1A1RECQLTSHRL3MBTL1KMT2A
SCHEMBL24264062 0.86 ALDH1A1 (0.39) ALDH1A1RECQLCES2CES1IDO1
SCHEMBL26625639 0.86 ALDH1A1 (0.49) ALDH1A1RECQLTSHRKDM4ESCN8A
SCHEMBL10457903 0.84 SCN8A (0.37) CES2CES1L3MBTL1FFAR4MEN1
SCHEMBL5390431 0.80 ALDH1A1 (0.40) ALDH1A1RECQLCES2CES1IDO1
SCHEMBL9634005 0.79 L3MBTL1 (0.49) ALDH1A1TSHRL3MBTL1GCKFFAR4
SCHEMBL24096249 0.79 TAAR1 (0.48) CES2CES1KDM4ESCN8AALOX5AP
SCHEMBL23752181 0.78 ALOX5AP (0.46) SYKGCKFFAR4MEN1KMT2A
SCHEMBL12634440 0.78 SCN8A (0.39) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL15295193 0.77 L3MBTL1 (0.41) ALDH1A1TSHRL3MBTL1FFAR4KMT2A

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 9 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-7229997-B2 Compounds and their use BIOVITRUM AB (SE) 2007-06-12 US disclosed
US-7229997-B2 Compounds and their use BIOVITRUM AB (SE) 2007-06-12 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 ALDH1A1 288/4885RECQL 1741/4885CES2 293/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ALDH1A1 288/4885RECQL 1741/4885CES2 293/4885

“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.