SCHEMBL4976243

SCHEMBL4976243

O=C(c1ccccc1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.54
HSP90AB1 P08238 6/20 0.49
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
GBA1 P04062 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
HSP90AA1 P07900 2/20 0.42
RAB9A P51151 1/20 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
SCHEMBL4978487 0.93 HSP90AB1 (0.47) KDM2BHSP90AB1HCRTR1HCRTR2PTPN11
SCHEMBL4974914 0.90 MEN1 (0.50) KDM2BHSP90AB1HCRTR1HCRTR2PTPN11
SCHEMBL4978732 0.90 HSP90AB1 (0.51) KDM2BHSP90AB1HCRTR1HCRTR2PTPN11
SCHEMBL4976947 0.90 MEN1 (0.53) HSP90AB1HCRTR1HCRTR2PTPN11ALDH1A1
SCHEMBL4978120 0.89 HSP90AB1 (0.48) KDM2BHSP90AB1HSP90AA1
SCHEMBL4977057 0.89 HSP90AB1 (0.48) KDM2BHSP90AB1LMNAKDM4EHSD17B10
SCHEMBL4976933 0.89 PTPN11 (0.48) KDM2BHSP90AB1HCRTR1HCRTR2PTPN11
SCHEMBL4980285 0.89 GBA1 (0.55) KDM2BHSP90AB1HCRTR1HCRTR2PTPN11
SCHEMBL4978051 0.88 SLC6A7 (0.53) HSP90AB1HCRTR1HCRTR2PTPN11ALDH1A1
SCHEMBL4976323 0.88 ALDH1A1 (0.56) HSP90AB1HCRTR1HCRTR2PTPN11ALDH1A1

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 KDM2B 1937/4885HSP90AB1 2652/4885HCRTR1 198/4885

“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.