SCHEMBL3570254

SCHEMBL3570254

CN1CCN(c2ccc(N)c(F)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.56
HRH4 Q9H3N8 5/20 0.54
HRH3 Q9Y5N1 3/20 0.54
HTR3E A5X5Y0 4/20 0.50
HTR3B O95264 4/20 0.50
HTR3D Q70Z44 4/20 0.50
HTR3C Q8WXA8 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MAP4K4 O95819 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
THPO P40225 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL29739643 0.82 SMPD3 (0.47) ALDH1A1MAP4K4CYP1A2L3MBTL1
SCHEMBL2417923 0.82 HTR3A (0.59) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL29757651 0.82 HTR3A (0.59) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL17164737 0.81 HTR3A (0.58) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL16908180 0.79 SMPD3 (0.50) ALDH1A1KDM4ECYP1A2L3MBTL1
SCHEMBL3566008 0.79 HTR3A (0.56) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL16931347 0.77 HTR3A (0.57) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL8801555 0.76 HTR3A (0.50) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL25191131 0.74 MAP4K4 (0.48) HTR3AHRH3HTR3EHTR3BHTR3D
SCHEMBL21262258 0.74 HTR3A (0.50) HTR3AHRH4HRH3HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 CN disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 HTR3A 2169/4885HRH4 1197/4885HRH3 1650/4885

“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.