SCHEMBL4977783

SCHEMBL4977783

c1cncc(CN2CCc3ncnc(N4CCN(C5CCC5)CC4)c3CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.53
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
KDM4E B2RXH2 2/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKCI P41743 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4978114 0.93 TRPV6 (0.52) TRPV6CHRNB2CHRNA4HRH1HRH3
SCHEMBL4083239 0.89 HRH1 (0.47) TRPV6KDM4EHRH1HRH3ALDH1A1
SCHEMBL4980403 0.83 MEN1 (0.41) TRPV6HRH1HRH3MEN1KMT2A
SCHEMBL4977043 0.83 MEN1 (0.46) KDM4EHRH1HRH3ALDH1A1DRD2
SCHEMBL4974966 0.83 KMT2A (0.46) TRPV6KDM4EHRH1HRH3ALDH1A1
SCHEMBL4981943 0.83 MEN1 (0.55) HRH1HRH3ALDH1A1MEN1KMT2A
SCHEMBL4974790 0.83 HRH3 (0.48) KDM4EHRH1HRH3ALDH1A1MEN1
SCHEMBL4978459 0.82 L3MBTL3 (0.51) HRH1HRH3MEN1KMT2A
SCHEMBL4071423 0.82 HRH1 (0.46) TRPV6KDM4EHRH1HRH3ALDH1A1
SCHEMBL4980623 0.81 HRH3 (0.45) HRH1HRH3MEN1KMT2A

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 TRPV6 998/4885CHRNB2 895/4885CHRNA4 350/4885

“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.