Sugi Predict

Sugi Predict / Compounds / SCHEMBL2064459

SCHEMBL2064459

SCHEMBL2064459

O=C(c1ccccc1)n1cc(C2=CCN3CCCC3C2)c2cnccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.46
▸ ELANE P08246 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ BTK Q06187 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ MAP4K2 Q12851 1/20 0.33
▸ CAMK2B Q13554 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ NAMPT P43490 1/20 0.33

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
SCHEMBL2064415 0.86 BTK (0.35) HTR6ELANEKDM4EBTKKDM2B
SCHEMBL2063435 0.84 BTK (0.38) ELANEKDM4EBTKALDH1A1L3MBTL1
SCHEMBL2064707 0.82 ELANE (0.43) HTR6ELANE
SCHEMBL2065517 0.79 HTR6 (0.46) HTR6
SCHEMBL8385549 0.75 HTR6 (0.44) HTR6KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL2064304 0.74 HTR6 (0.59) HTR6
SCHEMBL2064466 0.73 HTR6 (0.47) HTR6KDM2B
SCHEMBL2064263 0.73 HTR6 (0.47) HTR6KDM4EALDH1A1L3MBTL1ALOX5
SCHEMBL2064750 0.72 HTR6 (0.41) HTR6ALDH1A1
SCHEMBL2064690 0.72 HTR6 (0.46) HTR6KDM4EL3MBTL1

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 1/4885ELANE 3679/4885KDM4E 1955/4885
US-20080004307-A1 Azaindoles Having Serotonin Receptor Affinity HTR6, DRD2, HTR1A HTR6 1/4885ELANE 3679/4885KDM4E 1955/4885
US-20040132734-A1 Azaindoles having serotonin receptor affinity DRD2, HTR3C, HTR2C HTR6 8/4885ELANE 3752/4885KDM4E 2479/4885
US-20010049441-A1 Azaindoles having serotonin receptor affnity DRD2, DRD3, HTR3C HTR6 14/4885ELANE 2615/4885KDM4E 2230/4885
US-20050239788-A1 Substituted with pyrrolopiperazine; schizophrenia, psychosis, depression; inhibition of the 5-HT6 receptor CRHR1, HTR6, HTR1A HTR6 2/4885ELANE 4315/4885KDM4E 3549/4885

“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.