SCHEMBL2064873

SCHEMBL2064873

O=S(=O)(c1ccc2ccccc2c1)n1cc(C2=CCN3CCCC3C2)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.47
HTR1A P08908 3/20 0.44
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
HTR7 P34969 3/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
DRD3 P35462 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
HSD11B1 P28845 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2065324 0.89 HTR6 (0.45) HTR6ALDH1A1
SCHEMBL2063442 0.88 L3MBTL1 (0.42) HTR6KDM4EALDH1A1
SCHEMBL2064888 0.87 HTR6 (0.45) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL2064275 0.87 HTR6 (0.44) HTR6CYP3A4KDM4E
SCHEMBL2064302 0.86 HTR6 (0.59) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL2064466 0.84 HTR6 (0.47) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL7005953 0.82 HTR6 (0.49) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL7005955 0.82 HTR6 (0.49) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL2063433 0.77 HTR6 (0.45) HTR6KDM2BHSD11B1TSHRKDM4E
SCHEMBL7493277 0.77 HTR6 (0.51) HTR6HTR1ADRD2HTR2AHTR7

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148394-B2 Azaindoles having serotonin receptor affinity NPS PHARMACEUTICALS, INC. (US) 2012-04-03 US claimed
US-20040132734-A1 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2004-07-08 US claimed
EP-1204662-B1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP (CA) 2004-06-02 EP claimed
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP claimed
US-20010049441-A1 Azaindoles having serotonin receptor affnity ALLELIX BIOPHARMACEUTICALS, INC. 2001-12-06 US claimed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO claimed
US-6191141-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEN DISORDERS NPS ALLELIX CORP. (CA) 2001-02-20 US claimed
US-20120302596-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
US-8148394-B2 Azaindoles having serotonin receptor affinity NPS PHARMACEUTICALS, INC. (US) 2012-04-03 US disclosed
US-20080004307-A1 Azaindoles Having Serotonin Receptor Affinity NPS ALLELIX CORP. (CA) 2008-01-03 US disclosed
US-7268127-B2 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP (CA) 2007-09-11 US disclosed
US-20050239788-A1 Substituted with pyrrolopiperazine; schizophrenia, psychosis, depression; inhibition of the 5-HT6 receptor NPS ALLELIX CORP. (CA) 2005-10-27 US disclosed
US-6916818-B2 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2005-07-12 US disclosed
US-20040132734-A1 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2004-07-08 US disclosed
EP-1204662-B1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP (CA) 2004-06-02 EP disclosed
US-6686374-B1 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2004-02-03 US disclosed
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP disclosed
US-20010049441-A1 Azaindoles having serotonin receptor affnity ALLELIX BIOPHARMACEUTICALS, INC. 2001-12-06 US disclosed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO disclosed
US-6191141-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEN DISORDERS NPS ALLELIX CORP. (CA) 2001-02-20 US 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-20120302596-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY HTR6, DRD2, HTR1A HTR6 1/4885HTR1A 3/4885DRD2 2/4885
US-20080004307-A1 Azaindoles Having Serotonin Receptor Affinity HTR6, DRD2, HTR1A HTR6 1/4885HTR1A 3/4885DRD2 2/4885
US-20040132734-A1 Azaindoles having serotonin receptor affinity DRD2, HTR3C, HTR2C HTR6 8/4885HTR1A 4/4885DRD2 1/4885
US-20010049441-A1 Azaindoles having serotonin receptor affnity DRD2, DRD3, HTR3C HTR6 14/4885HTR1A 7/4885DRD2 1/4885
US-20050239788-A1 Substituted with pyrrolopiperazine; schizophrenia, psychosis, depression; inhibition of the 5-HT6 receptor CRHR1, HTR6, HTR1A HTR6 2/4885HTR1A 3/4885DRD2 9/4885

“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.