SCHEMBL4975387

SCHEMBL4975387

Cc1cccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.45
KDM2B Q8NHM5 1/20 0.44
PTPN11 Q06124 1/20 0.44
HSP90AB1 P08238 5/20 0.43
CHRM2 P08172 5/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
HSP90AA1 P07900 3/20 0.42

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
SCHEMBL4976881 0.91 GBA1 (0.46) GBA1KDM2BHSP90AB1HCRTR1HCRTR2
SCHEMBL4980285 0.91 GBA1 (0.55) GBA1KDM2BPTPN11HSP90AB1HCRTR1
SCHEMBL4976950 0.90 GBA1 (0.45) GBA1KDM2BHSP90AB1HCRTR1HCRTR2
SCHEMBL4973606 0.90 PTPN11 (0.44) GBA1KDM2BPTPN11HSP90AB1CHRM2
SCHEMBL4979609 0.88 HSP90AB1 (0.44) GBA1KDM2BPTPN11HSP90AB1HCRTR1
SCHEMBL4976933 0.87 PTPN11 (0.48) GBA1KDM2BPTPN11HSP90AB1HCRTR1
SCHEMBL4980539 0.86 HSP90AB1 (0.48) GBA1KDM2BPTPN11HSP90AB1HCRTR1
SCHEMBL4976323 0.85 ALDH1A1 (0.56) PTPN11HSP90AB1HCRTR1HCRTR2HSP90AA1
SCHEMBL4976947 0.84 MEN1 (0.53) GBA1PTPN11HSP90AB1HCRTR1HCRTR2
SCHEMBL4980433 0.84 HSP90AA1 (0.44) KDM2BPTPN11HSP90AB1HCRTR1HCRTR2

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 GBA1 3687/4885KDM2B 1937/4885PTPN11 4015/4885

“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.