SCHEMBL2779635

SCHEMBL2779635

COc1ccc(N)cc1N1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.68
HTR3B O95264 3/20 0.68
HTR3A P46098 3/20 0.68
HTR3D Q70Z44 3/20 0.68
HTR3C Q8WXA8 3/20 0.68
HTR6 P50406 8/20 0.61
ADRB1 P08588 1/20 0.61
DRD2 P14416 1/20 0.61
CYP2C19 P33261 1/20 0.61
DRD3 P35462 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTR7 P34969 2/20 0.51
NCF1 P14598 1/20 0.49

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
SCHEMBL6876567 0.98 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1641730 0.98 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7732043 0.87 HTR3A (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14320628 0.85 MAPT (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5701472 0.83 ALDH1A1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3973132 0.82 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2349863 0.82 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31652018 0.82 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1397389 0.82 DRD2 (0.60) HTR6DRD2CYP2C19DRD3LMNA
Hydrochloric Acid SCHEMBL6343779 0.81 KDM4E (0.59) HTR6DRD2CYP2C19DRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163279-A3 LOW-POWER WIRELESSLY-LINKED RFID TRACKING SYSTEM ROSE MARK D (US) 2012-05-10 WO claimed
US-20070270432-A1 Novel Method GLAXO GROUP LIMITED (GB) 2007-11-22 US claimed
EP-1471912-A1 METHOD OF PROMOTING NEURONAL GROWTH GLAXO GROUP LIMITED (GB) 2004-11-03 EP claimed
EP-1107745-B1 USE OF 5HT-6 ANTAGONISTS FOR THE TREATMENT OF ADHD SMITHKLINE BEECHAM PLC (GB) 2004-10-13 EP claimed
WO-2003066056-A1 METHOD OF PROMOTING NEURONAL GROWTH GLAXO GROUP LIMITED (GB) 2003-08-14 WO claimed
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US claimed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US claimed
US-20020094979-A1 Use of 5HT-6 antagonists REAVILL CHARLES ALAN (GB) 2002-07-18 US claimed
US-6380199-B1 TREATMENT OF ATTENTION DEFICIT HYPERACTIVITY DISORDER SMITHKLINE BEECHAN P.L.C. (GB) 2002-04-30 US claimed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN claimed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
EP-3027613-B1 PYRROLOQUINOLINE DERIVATIVES AS 5-HT6 ANTAGONISTS, PREPARATION METHOD AND USE THEREOF UNIV JAGIELLONSKI (PL) 2018-03-28 EP disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO disclosed
US-5358948-A Psychological, nervous system disorders GLAXCO GROUP LIMITED (GB) 1994-10-25 US disclosed
WO-1993006084-A1 BENZANILIDE DERIVATIVES AS 5-HT1D ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-04-01 WO disclosed
EP-0533267-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP 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 (2 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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS HTR3E 3156/4885HTR3B 3257/4885HTR3A 3281/4885
US-20020094979-A1 Use of 5HT-6 antagonists HTR6, HTR2A, HTR1A HTR3E 13/4885HTR3B 6/4885HTR3A 10/4885

“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.