SCHEMBL4982005

SCHEMBL4982005

Cc1cccc(CN2CCc3ncnc(N4CCN(C5CCC5)CC4)c3CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PDE2A O00408 1/20 0.38
TLR7 Q9NYK1 2/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4978480 0.93 PDE2A (0.40) HRH1HRH3KMT2AMEN1PDE2A
SCHEMBL14346674 0.89 HRH3 (0.40) HRH1HRH3KMT2AMEN1TLR7
SCHEMBL4976233 0.84 HRH3 (0.47) HRH1HRH3PDE2AALDH1A1LMNA
SCHEMBL4974966 0.83 KMT2A (0.46) HRH1HRH3KMT2AMEN1ALDH1A1
SCHEMBL4981943 0.82 MEN1 (0.55) HRH1HRH3KMT2AMEN1TLR7
SCHEMBL4083239 0.82 HRH1 (0.47) HRH1HRH3KMT2AMEN1ALDH1A1
SCHEMBL4976664 0.81 HRH1 (0.39) HRH1HRH3KMT2AMEN1TLR7
SCHEMBL4978270 0.80 TLR7 (0.54) HRH1HRH3KMT2AMEN1TLR7
SCHEMBL4978237 0.80 MEN1 (0.43) HRH1HRH3KMT2AMEN1PDE2A
SCHEMBL4979798 0.80 TLR7 (0.38) HRH1HRH3KMT2AMEN1TLR7

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 3 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

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 1/4885KMT2A 1417/4885

“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.