SCHEMBL4980285

SCHEMBL4980285

Cc1ccccc1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.55
KDM2B Q8NHM5 1/20 0.54
HTT P42858 2/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
HSP90AB1 P08238 1/20 0.45
HSP90AA1 P07900 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44

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 0.93 GBA1 (0.46) GBA1KDM2BHTTHCRTR1HCRTR2
SCHEMBL4975387 0.91 GBA1 (0.45) GBA1KDM2BHCRTR1HCRTR2HSP90AB1
SCHEMBL4976950 0.91 GBA1 (0.45) GBA1KDM2BHCRTR1HCRTR2HSP90AB1
SCHEMBL4979609 0.90 HSP90AB1 (0.44) GBA1KDM2BHCRTR1HCRTR2HSP90AB1
SCHEMBL4976947 0.90 MEN1 (0.53) GBA1HTTHCRTR1HCRTR2HSP90AB1
SCHEMBL4975414 0.89 HSP90AB1 (0.46) GBA1KDM2BHTTHCRTR1HCRTR2
SCHEMBL4980539 0.89 HSP90AB1 (0.48) GBA1KDM2BHCRTR1HCRTR2HSP90AB1
SCHEMBL4978059 0.89 HSP90AA1 (0.47) GBA1KDM2BHCRTR1HCRTR2HSP90AB1
SCHEMBL4976933 0.89 PTPN11 (0.48) GBA1KDM2BHCRTR1HCRTR2HSP90AB1
SCHEMBL4976243 0.89 KDM2B (0.54) GBA1KDM2BHTTHCRTR1HCRTR2

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 1937/4885HTT 640/4885

“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.