SCHEMBL3266331

SCHEMBL3266331

COc1ccccc1C(C)Oc1cncc(N2CCNCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.61
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
HTR6 P50406 3/20 0.45
ADRB1 P08588 2/20 0.45
DRD3 P35462 2/20 0.45
HTR3A P46098 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
DRD2 P14416 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTR7 P34969 4/20 0.43
HTR1A P08908 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL3266588 0.83 HTR2C (0.76) HTR2CHTR2AHTR2BHTR6ADRB1
SCHEMBL3267066 0.78 HTR2C (0.71) HTR2CHTR2AHTR2BADRB1DRD3
SCHEMBL3266841 0.77 HTR2C (0.60) HTR2CHTR2AHTR2BHTR6ADRB1
SCHEMBL4430211 0.77 HTR2C (0.58) HTR2CHTR2AHTR2BADRB1DRD3
SCHEMBL3266490 0.77 HTR2C (0.57) HTR2CHTR2AHTR2BHTR6ADRB1
Hydrochloric Acid SCHEMBL26600827 0.76 HTR2C (0.57) HTR2CHTR2AHTR2BADRB1DRD3
Hydrochloric Acid SCHEMBL11607113 0.76 HTR2C (0.57) HTR2CHTR2AHTR2BADRB1DRD3
SCHEMBL3266300 0.76 HTR2C (1.00) HTR2CHTR2AHTR2BHTR6ADRB1
SCHEMBL3267213 0.76 HTR2C (0.73) HTR2CHTR2AHTR2BHTR6ADRB1
SCHEMBL3267723 0.75 HTR2C (0.58) HTR2CHTR2AHTR2BADRB1DRD3

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 12 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 claimed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP claimed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US claimed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US claimed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO claimed
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 HTR2C 916/4885HTR2A 1308/4885HTR2B 1039/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR2C 916/4885HTR2A 1308/4885HTR2B 1039/4885

“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.