SCHEMBL3266417

SCHEMBL3266417

c1ccc(CCc2cccc(N3CCNCC3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.65
KCNH2 Q12809 1/20 0.54
HTR2C P28335 2/20 0.53
HTR3A P46098 4/20 0.53
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
PDE10A Q9Y233 6/20 0.50
HTR6 P50406 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
MAPK1 P28482 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48

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
SCHEMBL4332133 0.84 AOC3 (0.55) AOC3KCNH2HTR2CHTR3AHTR3E
SCHEMBL13193690 0.82 HTR3E (0.55) AOC3HTR2CHTR3AHTR3EHTR3B
SCHEMBL13751510 0.81 HTR3E (0.58) AOC3HTR2CHTR3AHTR3EHTR3B
SCHEMBL16848670 0.79 AOC3 (0.73) AOC3HTR2CHTR3AHTR3EHTR3B
SCHEMBL1433649 0.79 AOC3 (1.00) AOC3HTR3AHTR3EHTR3BALDH1A1
Hydrochloric Acid SCHEMBL1432753 0.78 AOC3 (0.98) AOC3HTR3AHTR3EHTR3BALDH1A1
SCHEMBL25189276 0.78 HTR3E (0.58) AOC3HTR2CHTR3AHTR3EHTR3B
SCHEMBL5217823 0.78 ALDH1A1 (0.58) AOC3HTR2CHTR3AHTR3EHTR3B
SCHEMBL603395 0.78 HRH4 (0.56) AOC3HTR2CHTR3AUSP2ADRB1
SCHEMBL13171621 0.75 HTR3E (0.54) AOC3HTR2CHTR3AHTR3EHTR3B

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 14 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
CN-1329389-C Novel compounds and their use BIOVITRUM AB (SE) 2007-08-01 CN 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
EP-1506185-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF 5-HT BIOVITRUM AB (SE) 2006-05-24 EP disclosed
CN-1701068-A Novel compounds and their use BIOVITRUM AB (SE) 2005-11-23 CN disclosed
EP-1506185-A1 NOVEL COMPOUNDS AND THEIR USE Biovitrum AB (SE) 2005-02-16 EP disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
US-20030232814-A1 Novel compounds and their use BIOVITRUM AB (PUBL) (SE) 2003-12-18 US disclosed
WO-2003097636-A1 NOVEL COMPOUNDS AND THEIR USE BIOVITRUM AB (SE) 2003-11-27 WO 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 (3 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-20030232814-A1 Novel compounds and their use GPR119, FABP4, MC4R AOC3 2038/4885KCNH2 3865/4885HTR2C 233/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 AOC3 3418/4885KCNH2 2992/4885HTR2C 916/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 AOC3 3418/4885KCNH2 2992/4885HTR2C 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.