SCHEMBL4979609

SCHEMBL4979609

Cc1cccc(C)c1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.44
KDM2B Q8NHM5 1/20 0.43
HSP90AA1 P07900 4/20 0.43
CCR5 P51681 3/20 0.43
MAPT P10636 1/20 0.42
GBA1 P04062 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
KCNH2 Q12809 1/20 0.41
PTPN11 Q06124 1/20 0.41
TLR4 O00206 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL4978441 0.90 HSP90AA1 (0.45) HSP90AB1KDM2BHSP90AA1MAPTHCRTR1
SCHEMBL4976881 0.90 GBA1 (0.46) HSP90AB1KDM2BHSP90AA1GBA1HCRTR1
SCHEMBL4980285 0.90 GBA1 (0.55) HSP90AB1KDM2BHSP90AA1GBA1HCRTR1
SCHEMBL4974914 0.89 MEN1 (0.50) HSP90AB1KDM2BHSP90AA1MAPTHCRTR1
SCHEMBL4975077 0.89 HSP90AB1 (0.49) HSP90AB1KDM2BHSP90AA1MAPTHCRTR1
SCHEMBL4978522 0.89 KDM4E (0.49) HSP90AB1HSP90AA1MAPTHCRTR1HCRTR2
SCHEMBL4975387 0.88 GBA1 (0.45) HSP90AB1KDM2BHSP90AA1GBA1HCRTR1
SCHEMBL4976950 0.88 GBA1 (0.45) HSP90AB1KDM2BHSP90AA1GBA1HCRTR1
SCHEMBL4975997 0.86 KDM2B (0.55) HSP90AB1KDM2BGBA1
SCHEMBL4979058 0.85 KDM2B (0.53) HSP90AB1KDM2BHSP90AA1GBA1

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 HSP90AB1 2652/4885KDM2B 1937/4885HSP90AA1 2689/4885

“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.