SCHEMBL4981982

SCHEMBL4981982

COc1ccc(C=CC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HSP90AB1 P08238 2/20 0.44
GPR183 P32249 6/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43
KDM2B Q8NHM5 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ACHE P22303 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
SCHEMBL4981967 1.00 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AHSP90AB1GPR183
SCHEMBL4976818 0.92 HSP90AB1 (0.42) ALDH1A1HSP90AB1MAPTKDM2BHRH3
SCHEMBL4976823 0.92 HSP90AB1 (0.42) ALDH1A1HSP90AB1MAPTKDM2BHRH3
SCHEMBL4980006 0.91 MAPT (0.46) ALDH1A1NPC1RAB9AHSP90AB1GPR183
SCHEMBL4980014 0.91 MAPT (0.46) ALDH1A1NPC1RAB9AHSP90AB1GPR183
SCHEMBL4976994 0.90 HSP90AB1 (0.46) ALDH1A1HSP90AB1MAPTGAAKDM2B
SCHEMBL4976976 0.90 HSP90AB1 (0.46) ALDH1A1HSP90AB1MAPTGAAKDM2B
SCHEMBL14346864 0.90 HSP90AB1 (0.42) NPC1RAB9AHSP90AB1GPR183MAPT
SCHEMBL4976717 0.89 KDM4E (0.52) ALDH1A1HSP90AB1ACHE
SCHEMBL4976734 0.89 KDM4E (0.52) ALDH1A1HSP90AB1ACHE

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 2 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

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 ALDH1A1 1142/4885NPC1 4289/4885RAB9A 2216/4885

“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.