SCHEMBL3266578

SCHEMBL3266578

COc1cc(COc2cncc(Cl)n2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PDE2A O00408 1/20 0.38
ABCB1 P08183 3/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
ALKBH1 Q13686 1/20 0.36
GRM5 P41594 3/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
CHRM4 P08173 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
FPR3 P25089 1/20 0.34
HTR1D P28221 1/20 0.34

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
SCHEMBL3266839 0.86 MAOB (0.49) ABCB1HTR2AHTR2CHTR2BCHRM4
SCHEMBL1993092 0.85 PDE2A (0.47) PDE2AMAOB
SCHEMBL29891214 0.79 CYP1A1 (0.44) CYP1A1CYP1B1CYP11B1CYP11B2
SCHEMBL3266593 0.78 IDO1 (0.39) KDRGRM5HTR2AHTR2CHTR2B
SCHEMBL3266196 0.76 IDO1 (0.49) HTR2A
SCHEMBL3270815 0.75 TAAR1 (0.46) ABCB1HTR2CHTR2BHTR1ACHRM1
SCHEMBL3272326 0.74 MAPK1 (0.48) HTR2AHTR2CHTR2BCHRM4ADRB1
SCHEMBL1134458 0.74 HTR2A (0.43) GRM5HTR2AHTR2CHTR2BCHRM4
SCHEMBL3267897 0.74 MEN1 (0.41) HTR2CHTR2BMAOBCYP11B1CYP11B2
SCHEMBL3266762 0.74 CYP11B1 (0.47) CYP11B1CYP11B2

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 ENPP2 1153/4885CYP1A1 30/4885CYP1B1 6/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ENPP2 1153/4885CYP1A1 30/4885CYP1B1 6/4885

“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.