SCHEMBL4978041

SCHEMBL4978041

COc1cccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSP90AB1 P08238 4/20 0.50
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
HSD11B1 P28845 1/20 0.43
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
PDE2A O00408 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
SCHEMBL4975968 0.92 HSP90AB1 (0.51) GAANPSR1HSP90AB1KDM4EALDH1A1
SCHEMBL4980700 0.92 KDM4E (0.56) HSP90AB1KDM4EALDH1A1HTTHCRTR1
SCHEMBL4975077 0.90 HSP90AB1 (0.49) HSP90AB1KDM4EALDH1A1HTTHCRTR1
SCHEMBL4976968 0.88 HSP90AB1 (0.49) GAANPSR1HSP90AB1KDM4EHCRTR1
SCHEMBL4977156 0.86 HSP90AB1 (0.43) HSP90AB1KDM4EALDH1A1POLBLMNA
SCHEMBL4980707 0.85 HSP90AB1 (0.51) GAAHSP90AB1KDM4EALDH1A1HCRTR1
SCHEMBL4978905 0.85 LMNA (0.47) NPSR1HSP90AB1KDM4EHTTHCRTR1
SCHEMBL4980550 0.85 HSP90AB1 (0.49) HSP90AB1KDM4EHSP90AA1
SCHEMBL4979696 0.85 KDM4E (0.52) GAAHSP90AB1KDM4EALDH1A1HTT
SCHEMBL4979839 0.85 HSP90AB1 (0.68) HSP90AB1KDM4EALDH1A1HTTLMNA

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 GAA 2670/4885NPSR1 195/4885HSP90AB1 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.