SCHEMBL3270933

SCHEMBL3270933

Clc1cncc(OCCc2c[nH]c3ccccc23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
NEK4 P51957 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
SSTR2 P30874 1/20 0.48
SSTR4 P31391 1/20 0.48
HTR2A P28223 5/20 0.44
HTR2C P28335 3/20 0.44
CYP3A4 P08684 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 2/20 0.44
MPO P05164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
CTSK P43235 1/20 0.44
CYP2A13 Q16696 1/20 0.44

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
SCHEMBL3266410 0.78 HTR2A (0.67) GSK3BNEK4CSNK2A1CLK4SSTR2
SCHEMBL30698031 0.75 GSK3B (0.54) GSK3BNEK4CSNK2A1CLK4SSTR2
SCHEMBL1642966 0.75 KMT2A (0.59) HTR2AHTR7HTR6KMT2AMEN1
SCHEMBL3270455 0.75 HTR2A (0.46) HTR2AHTR2CCYP3A4CYP1A2CYP2D6
SCHEMBL3266222 0.73 CNR1 (0.36) HTR2AHTR2CHTR7HTR1DHTR1B
SCHEMBL3267252 0.73 PDE2A (0.45) CLK4HTR2AHTR2CCYP3A4CYP1A2
Hydrochloric Acid SCHEMBL6923962 0.71 GSK3B (0.69) GSK3BNEK4CSNK2A1CLK4SSTR2
SCHEMBL5670505 0.70 SSTR2 (0.54) SSTR2SSTR4HTR2AHTR2CCYP3A4
SCHEMBL30867181 0.70 SSTR2 (0.43) GSK3BNEK4CSNK2A1CLK4SSTR2
SCHEMBL3266595 0.69 KCNA3 (0.44) TAAR1MAPTALDH1A1LMNADRD2

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 GSK3B 2022/4885NEK4 2073/4885CSNK2A1 665/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 GSK3B 2022/4885NEK4 2073/4885CSNK2A1 665/4885

“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.