SCHEMBL5044063

SCHEMBL5044063

N#CNC(=NCCc1ccccc1Cl)c1cncc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
ALDH1A1 P00352 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPKAPK2 P49137 1/20 0.34
HRH2 P25021 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL8521392 1.00 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750818 0.88 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750821 0.88 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750836 0.87 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750833 0.87 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750758 0.86 FAAH (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750771 0.86 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750773 0.86 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750752 0.86 FAAH (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750776 0.85 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956866-A1 DRUGS FOR AMELIORATING OPHTHALMIC CIRCULATORY DISTURBANCE KIRIN BEER KABUSHIKI KAISHA (JP) 1999-11-17 EP claimed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP claimed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US claimed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP claimed
JP-8165239-A None JP disclosed
EP-1663239-A4 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS SINAI MEDICAL CENTER (US) 2008-07-23 EP disclosed
EP-1663239-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2006-06-07 EP disclosed
US-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier CEDARS-SINAI MEDICAL CENTER 2005-04-28 US disclosed
WO-2005025511-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2005-03-24 WO disclosed
EP-0956866-A1 DRUGS FOR AMELIORATING OPHTHALMIC CIRCULATORY DISTURBANCE KIRIN BEER KABUSHIKI KAISHA (JP) 1999-11-17 EP disclosed
WO-1998035673-A1 DRUGS FOR RELIEVING PERIPHERAL CIRCULATION DISORDER KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-20 WO disclosed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
JP-H08165239-A ANTI-ARTERIOSCLEROTIC AGENT KIRIN BREWERY CO LTD 1996-06-25 JP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 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 (1 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-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier KCNN2, KCNN1, KCNN3 HTR3E 1829/4885HTR3B 2110/4885HTR3A 1935/4885

“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.