SCHEMBL4980665

SCHEMBL4980665

Fc1cccc(CN2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.51
LMNA P02545 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 3/20 0.49
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTT P42858 1/20 0.41

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
SCHEMBL4980313 0.94 HSP90AB1 (0.60) HSP90AB1LMNAALDH1A1MEN1KMT2A
SCHEMBL4978929 0.89 MAPT (0.51) HSP90AB1LMNAALDH1A1MEN1KMT2A
SCHEMBL4979105 0.88 HSP90AB1 (0.62) HSP90AB1LMNAMEN1KMT2AMAPT
SCHEMBL4978720 0.88 LMNA (0.53) HSP90AB1LMNAMAPTTP53POLB
SCHEMBL4978685 0.85 KDM4E (0.44) HSP90AB1LMNAALDH1A1KCNH2HTT
SCHEMBL4978255 0.85 TRPV6 (0.53) HSP90AB1LMNAMAPTTP53POLB
SCHEMBL4976372 0.84 LMNA (0.51) HSP90AB1LMNAMAPTTP53POLB
SCHEMBL4979054 0.83 MAPT (0.51) HSP90AB1LMNAMAPTTP53POLB
SCHEMBL4978686 0.82 LMNA (0.64) HSP90AB1LMNAMEN1KMT2AMAPT
SCHEMBL4976429 0.82 HSP90AB1 (0.44) HSP90AB1LMNAMEN1KMT2AMAPT

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 HSP90AB1 2652/4885LMNA 4534/4885ALDH1A1 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.