SCHEMBL4082303

SCHEMBL4082303

c1nc2c(c(N3CCN(C4CCC4)CC3)n1)CCNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
HRH1 P35367 1/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
TLR7 Q9NYK1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2C P28335 7/20 0.39
HTR2A P28223 5/20 0.39
HTR2B P41595 4/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
TLR9 Q9NR96 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL4083552 0.91 HRH1 (0.45) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL14346645 0.86 HRH3 (0.50) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4978270 0.79 TLR7 (0.54) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4980317 0.78 TLR7 (0.48) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4977006 0.78 HRH3 (0.45) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL14273287 0.76 HRH3 (0.46) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4977027 0.76 TLR7 (0.52) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4978201 0.76 TLR7 (0.42) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4978581 0.76 HRH3 (0.42) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4978177 0.75 TLR7 (0.51) HRH3HRH1ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029588-A4 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-08-05 EP disclosed
EP-2029588-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES Neurogen Corporation (US) 2009-03-04 EP disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO disclosed
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 HRH3 1/4885HRH1 4/4885ALDH1A1 1142/4885

“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.