SCHEMBL4978720

SCHEMBL4978720

c1ccc(CN2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
HTT P42858 1/20 0.53
HSP90AB1 P08238 3/20 0.52
MAPT P10636 5/20 0.51
TP53 P04637 3/20 0.51
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 1/20 0.47
TRPV6 Q9H1D0 2/20 0.44

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
SCHEMBL4981551 0.93 HSP90AB1 (0.61) LMNAHSP90AB1MAPTTP53POLB
SCHEMBL4978255 0.90 TRPV6 (0.53) LMNAHTTHSP90AB1MAPTTP53
SCHEMBL4978686 0.90 LMNA (0.64) LMNAHSP90AB1MAPTTP53POLB
SCHEMBL4979105 0.90 HSP90AB1 (0.62) LMNAHTTHSP90AB1MAPTTP53
SCHEMBL4980324 0.89 LMNA (0.50) LMNAHTTHSP90AB1MAPTTP53
SCHEMBL4978929 0.88 MAPT (0.51) LMNAHSP90AB1MAPTTP53POLB
SCHEMBL4980665 0.88 HSP90AB1 (0.51) LMNAHTTHSP90AB1MAPTTP53
SCHEMBL4979044 0.88 MAPT (0.64) LMNAHSP90AB1MAPTTP53POLB
SCHEMBL4976429 0.87 HSP90AB1 (0.44) LMNAHTTHSP90AB1MAPTTP53
SCHEMBL4978651 0.87 LMNA (0.51) LMNAHSP90AB1MAPTTP53POLB

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 LMNA 4534/4885HTT 640/4885HSP90AB1 2652/4885

“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.