SCHEMBL4979714

SCHEMBL4979714

CC(C)C(C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
HSP90AA1 P07900 6/20 0.41
ACHE P22303 1/20 0.41
CHRM1 P11229 2/20 0.41
OGA O60502 1/20 0.41
MAPT P10636 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HSP90AB1 P08238 3/20 0.39
KDM2B Q8NHM5 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR4 O00206 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4980323 0.89 PTPN11 (0.45) PTPN11HSP90AA1ACHECHRM1OGA
SCHEMBL4981962 0.89 KDM2B (0.41) PTPN11HSP90AA1OGAMAPTHCRTR1
SCHEMBL4980386 0.88 CHRM1 (0.45) PTPN11HSP90AA1ACHECHRM1OGA
SCHEMBL4974977 0.86 CHRM3 (0.48) PTPN11HSP90AA1ACHECHRM1MAPT
SCHEMBL4980278 0.86 PTPN11 (0.41) PTPN11HSP90AA1ACHECHRM1OGA
SCHEMBL4978771 0.86 HSP90AA1 (0.46) PTPN11HSP90AA1OGAMAPTHCRTR1
SCHEMBL4978911 0.86 CHRM3 (0.49) PTPN11HSP90AA1ACHECHRM1MAPT
SCHEMBL4976452 0.85 PTPN11 (0.42) PTPN11HSP90AA1OGAMAPTHCRTR1
SCHEMBL4980378 0.82 HSP90AA1 (0.47) PTPN11HSP90AA1OGAMAPTHCRTR1
SCHEMBL4976359 0.82 HSP90AB1 (0.52) PTPN11HSP90AB1KDM2BALDH1A1

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 PTPN11 4015/4885HSP90AA1 2689/4885ACHE 2948/4885

“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.