SCHEMBL3267252

SCHEMBL3267252

COc1ccccc1CCOc1cncc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
CYP1A2 P05177 7/20 0.41
CYP3A4 P08684 7/20 0.41
TSHR P16473 7/20 0.41
CYP2C19 P33261 7/20 0.41
CYP2C9 P11712 6/20 0.41
USP2 O75604 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
ABCB1 P08183 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
AOC3 Q16853 1/20 0.39
CYP2D6 P10635 4/20 0.39
ALOX15 P16050 1/20 0.39
KCNH2 Q12809 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
SCHEMBL3270825 0.88 ABCB1 (0.41) HTR2AHTR2CHTR2BABCB1
SCHEMBL3272652 0.86 IDO1 (0.45) TAAR1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL3270455 0.81 HTR2A (0.46) HTR2AHTR2CHTR2BTAAR1CYP1A2
SCHEMBL3267825 0.77 ABCB1 (0.47) ABCB1LMNA
SCHEMBL3266637 0.77 PLK1 (0.45) CYP1A2CYP3A4TSHRAOC3CYP2D6
SCHEMBL3267213 0.75 HTR2C (0.73) PDE2AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL3267897 0.75 MEN1 (0.41) HTR2CHTR2BTAAR1CYP1A2CYP3A4
SCHEMBL3270815 0.74 TAAR1 (0.46) HTR2CHTR2BTAAR1CYP1A2CYP3A4
SCHEMBL3270933 0.73 GSK3B (0.51) HTR2AHTR2CHTR2BTAAR1CYP1A2
SCHEMBL3266595 0.72 KCNA3 (0.44) TAAR1TSHRALDH1A1LMNAHRH3

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 PDE2A 1778/4885HTR2A 1308/4885HTR2C 916/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 PDE2A 1778/4885HTR2A 1308/4885HTR2C 916/4885

“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.