SCHEMBL4979743

SCHEMBL4979743

Fc1ccccc1CN1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
PDE4B Q07343 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GLA P06280 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL4976029 0.93 HRH1 (0.44) HRH1HRH3POLBCNR1CNR2
SCHEMBL4980343 0.91 HRH1 (0.39) HRH1HRH3CNR1CNR2TNKS
SCHEMBL4979833 0.88 TP53 (0.45) HRH1HRH3CNR1CNR2TNKS
SCHEMBL4071423 0.86 HRH1 (0.46) HRH1HRH3ALDH1A1LMNAHTT
SCHEMBL4979732 0.86 KMT2A (0.45) HRH1HRH3TNKSPARP1TNKS2
SCHEMBL4976766 0.84 HRH3 (0.47) HRH1HRH3ALDH1A1LMNAKMT2A
SCHEMBL4976664 0.84 HRH1 (0.39) HRH1HRH3POLBCNR1CNR2
SCHEMBL4978857 0.84 HRH1 (0.53) HRH1HRH3ALDH1A1LMNAHTT
SCHEMBL4981995 0.84 HRH1 (0.49) HRH1HRH3ALDH1A1LMNAHTT
SCHEMBL14346439 0.83 HRH3 (0.39) HRH1HRH3POLBCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH1 4/4885HRH3 1/4885POLB 1658/4885

“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.