SCHEMBL4546535

SCHEMBL4546535

CNc1nc(CN)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.35
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR1A P08908 1/20 0.32
AOC1 P19801 3/20 0.32
AOC3 Q16853 3/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL14525220 0.82 HTR1A (0.32) HTR1ANOS3NOS2USP2CYP1A2
SCHEMBL3929716 0.80 CCR1 (0.43) HTR6HTR1AUSP2CYP1A2CYP3A4
SCHEMBL2125060 0.74 NOS3 (0.50) NOS3NOS1NOS2
SCHEMBL5630218 0.72 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL17052905 0.72 AOC1 (0.39) AOC1AOC3
SCHEMBL13547616 0.72 CCR1 (0.40) HTR6NOS3NOS2USP2CYP1A2
SCHEMBL13343549 0.71 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL3936149 0.71 BACE1 (0.31) HTR1A
SCHEMBL5631598 0.70 NCF1 (0.45) NOS3NOS2USP2CYP1A2CYP3A4
SCHEMBL21789944 0.68 CYP3A4 (0.34) USP2CYP1A2CYP3A4CYP2D6ALOX15

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
US-7208603-B2 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2007-04-24 US claimed
EP-1358179-B1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PF MEDICAMENT (FR) 2006-05-10 EP claimed
US-20040116705-A1 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2004-06-17 US claimed
EP-1358179-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2003-11-05 EP claimed
WO-2002064585-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2002-08-22 WO claimed
US-8168786-B2 1,2,4-triazole- 3,5-dione derivatives; for imaging and therapy of psychiatric, eating, sleeping, bipolar disorder; anxiolytic agent, antidepressant; Alzheimer's, Parkinson's diseases, epilepsy; imaging agents for a serotonin receptor THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-05-01 US disclosed
US-8168786-B2 1,2,4-triazole- 3,5-dione derivatives; for imaging and therapy of psychiatric, eating, sleeping, bipolar disorder; anxiolytic agent, antidepressant; Alzheimer's, Parkinson's diseases, epilepsy; imaging agents for a serotonin receptor THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-05-01 US disclosed
WO-2009006227-A1 RADIOLABELED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-01-08 WO disclosed
US-20080138283-A1 Radiolabeled compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-06-12 US disclosed
US-20080138283-A1 Radiolabeled compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-06-12 US disclosed
US-7208603-B2 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2007-04-24 US disclosed
US-7208603-B2 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2007-04-24 US disclosed
US-7208603-B2 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2007-04-24 US disclosed
EP-1358179-B1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PF MEDICAMENT (FR) 2006-05-10 EP disclosed
US-20040116705-A1 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2004-06-17 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 (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-20080138283-A1 Radiolabeled compounds and uses thereof HTR5A, SLC18A2, HTR1A HTR6 15/4885PDCD1 3610/4885CD274 3169/4885

“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.