SCHEMBL2063869

SCHEMBL2063869

CN1CCC(c2cn(C(=O)c3c(Cl)cccc3Cl)c3ccncc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.42
DRD2 P14416 7/20 0.41
RORC P51449 1/20 0.40
HTR1F P30939 2/20 0.39
ATR Q13535 2/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2063673 0.75 HTR6 (0.55) ELANE
SCHEMBL2064415 0.69 BTK (0.35) ELANERORCATR
SCHEMBL7491511 0.69 HTR6 (0.53) MEN1KMT2A
SCHEMBL7479507 0.69 KCNH2 (0.44) RORCKCNH2MEN1KMT2A
SCHEMBL2064077 0.69 HTR6 (0.55) DRD2
SCHEMBL7491819 0.67 HTR6 (0.43) MEN1KMT2A
SCHEMBL7484514 0.66 KMT2A (0.53) DRD2HTR1FHTR1AHTR1DHTR1B
SCHEMBL14060059 0.66 SLC22A12 (0.64) MEN1KMT2A
SCHEMBL7480609 0.65 KCNH2 (0.47) DRD2HTR1FHTR1AHTR1DHTR1B
SCHEMBL7485175 0.65 POLB (0.50) DRD2HTR1FHTR1AHTR1DHTR1B

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 19 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-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 ELANE 3679/4885DRD2 2/4885RORC 3240/4885
US-20080004307-A1 Azaindoles Having Serotonin Receptor Affinity HTR6, DRD2, HTR1A ELANE 3679/4885DRD2 2/4885RORC 3240/4885
US-20040132734-A1 Azaindoles having serotonin receptor affinity DRD2, HTR3C, HTR2C ELANE 3752/4885DRD2 1/4885RORC 703/4885
US-20010049441-A1 Azaindoles having serotonin receptor affnity DRD2, DRD3, HTR3C ELANE 2615/4885DRD2 1/4885RORC 1174/4885
US-20050239788-A1 Substituted with pyrrolopiperazine; schizophrenia, psychosis, depression; inhibition of the 5-HT6 receptor CRHR1, HTR6, HTR1A ELANE 4315/4885DRD2 9/4885RORC 884/4885

“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.