SCHEMBL4981523

SCHEMBL4981523

CCCCOc1ccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSP90AB1 P08238 4/20 0.46
HRH3 Q9Y5N1 2/20 0.44
POLB P06746 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL4978516 0.97 HSP90AB1 (0.46) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4976292 0.93 HPGD (0.48) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4978123 0.90 HSP90AB1 (0.46) MEN1KMT2AHSP90AB1HRH3KDM2B
SCHEMBL4980394 0.89 KDM2B (0.55) HPGDMEN1KMT2AHSP90AB1HRH3
SCHEMBL4980183 0.88 MEN1 (0.49) MEN1KMT2AHSP90AB1HRH3KDM2B
SCHEMBL4977984 0.87 HSP90AB1 (0.47) HSP90AB1HRH3POLBKDM2B
SCHEMBL4979058 0.86 KDM2B (0.53) MEN1KMT2AHSP90AB1HRH3POLB
SCHEMBL4976026 0.86 HRH3 (0.54) ALDH1A1HSP90AB1HRH3POLBKDM2B
SCHEMBL4976400 0.86 HSP90AB1 (0.47) ALDH1A1SMN1; SMN2HSP90AB1
SCHEMBL4976783 0.85 HSP90AB1 (0.49) HSP90AB1HRH3KDM2BL3MBTL1

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 HPGD 159/4885ALDH1A1 1142/4885MEN1 4419/4885

“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.