SCHEMBL4978329

SCHEMBL4978329

O=C(Cc1ccc(-c2ccccc2)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PTPN11 Q06124 1/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 3/20 0.41
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
TLR4 O00206 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HSP90AB1 P08238 2/20 0.39
GBA1 P04062 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL4976061 0.94 KDM4E (0.57) KDM4EALDH1A1PTPN11MAPTACHE
SCHEMBL4974609 0.91 KDM4E (0.48) KDM4EALDH1A1PTPN11ACHETMEM97
SCHEMBL4977925 0.89 HSP90AB1 (0.48) KDM4EALDH1A1MAPTHSP90AB1HRH3
SCHEMBL4979654 0.89 MAPT (0.46) KDM4EALDH1A1MAPTHSP90AB1HRH3
SCHEMBL4980689 0.89 HSP90AB1 (0.48) KDM4EALDH1A1MAPTHSP90AB1KDM2B
SCHEMBL4978406 0.89 POLB (0.47) KDM4EALDH1A1MAPTTLR4TLR9
SCHEMBL4976190 0.89 KDM4E (0.49) KDM4EALDH1A1PTPN11ACHETMEM97
SCHEMBL4980761 0.89 KDM4E (0.45) KDM4EALDH1A1PTPN11ACHETMEM97
SCHEMBL4979742 0.87 ALDH1A1 (0.48) KDM4EALDH1A1MAPTHSP90AB1KDM2B
SCHEMBL4976114 0.87 PANK3 (0.53) KDM4EALDH1A1TLR4TLR9TLR8

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 KDM4E 1865/4885ALDH1A1 1142/4885PTPN11 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.