SCHEMBL4975122

SCHEMBL4975122

CCOc1ccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1OCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 1/20 0.48
GLA P06280 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AB1 P08238 3/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LRRK2 Q5S007 2/20 0.42
HSP90AA1 P07900 1/20 0.42
DCLK1 O15075 1/20 0.42
BRD4 O60885 1/20 0.42
MAPK7 Q13164 1/20 0.42
BRDT Q58F21 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL4975954 0.91 SMN1; SMN2 (0.50) MAPTLMNAHSP90AB1KDM4EALDH1A1
SCHEMBL4980664 0.90 KDM4E (0.55) MAPTLMNAHPGDL3MBTL1HSP90AB1
SCHEMBL4976292 0.89 HPGD (0.48) MAPTLMNANPSR1HPGDL3MBTL1
SCHEMBL4975212 0.87 KDM2B (0.47) LMNAHPGDL3MBTL1HSP90AB1KDM4E
SCHEMBL14346753 0.87 HSP90AB1 (0.46) L3MBTL1HSP90AB1KDM4EALDH1A1LRRK2
SCHEMBL4976790 0.86 HSP90AB1 (0.47) MAPTLMNAHSP90AB1KDM4EALDH1A1
SCHEMBL4978008 0.86 HSP90AB1 (0.47) HSP90AB1KDM4EALDH1A1LRRK2RAB9A
SCHEMBL4978905 0.85 LMNA (0.47) MAPTLMNANPSR1HSP90AB1KDM4E
SCHEMBL4976970 0.85 PDE4B (0.56) HSP90AB1KDM4EALDH1A1LRRK2
SCHEMBL4976299 0.85 HSP90AB1 (0.48) HPGDL3MBTL1HSP90AB1ALDH1A1HSP90AA1

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 MAPT 2301/4885LMNA 4534/4885ALOX15 3485/4885

“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.