SCHEMBL905849

SCHEMBL905849

c1ccc(COc2ccnc(N3CCNCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.60
HTR1A P08908 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
ALKBH1 Q13686 1/20 0.49
CYP11B2 P19099 1/20 0.49
HTR6 P50406 3/20 0.48
ADRB1 P08588 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
PRMT5 O14744 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL27512588 0.99 ACHE (0.58) ACHEHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5585315 0.87 ADRB1 (0.49) ACHEHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1275993 0.84 ACHE (0.60) ACHEHTR1ASLC6A2SLC6A3ALKBH1
SCHEMBL905866 0.80 HTR6 (0.51) ACHEHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5258581 0.80 ADRB1 (0.52) ACHETAAR1ADRB1ALDH1A1KDM4E
SCHEMBL3104344 0.80 HTR2C (0.57) HTR1ASLC6A2SLC6A4SLC6A3TAAR1
Hydrochloric Acid SCHEMBL31061265 0.78 HTR2C (0.58) HTR1ASLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL30423191 0.78 ADRB1 (0.50) ACHEADRB1ALDH1A1KDM4ECYP1A2
SCHEMBL2792154 0.77 ADRB1 (0.55) ACHEADRB1ALDH1A1KDM4EHTR2C
SCHEMBL20443370 0.77 ADRB1 (0.52) ACHEADRB1ALDH1A1KDM4E

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100451016-C Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2009-01-14 CN claimed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US claimed
CN-1876648-A Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2006-12-13 CN claimed
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 US claimed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP claimed
CN-1479727-A Piperazinylpyrazine compounds as agonists or antagonists of the 5-hydroxytryptamine 5 HT-2 receptor �Ȱ�ά����ķ�ɷݹ�˾ 2004-03-03 CN claimed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US claimed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP claimed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US claimed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO 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
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
CN-1780612-B Treatment of incontinence with 5HT2C agonists. PFIZER 2010-12-01 CN disclosed
CN-100451016-C Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2009-01-14 CN disclosed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO 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 (5 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-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A ACHE 638/4885HTR1A 1/4885SLC6A2 74/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C ACHE 529/4885HTR1A 15/4885SLC6A2 36/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A ACHE 610/4885HTR1A 2/4885SLC6A2 67/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ACHE 1499/4885HTR1A 611/4885SLC6A2 2442/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ACHE 1499/4885HTR1A 611/4885SLC6A2 2442/4885

“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.