SCHEMBL4977801

SCHEMBL4977801

Cc1nnsc1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.40
HSP90AA1 P07900 5/20 0.40
HSP90AB1 P08238 4/20 0.38
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
TLR4 O00206 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL4978438 0.86 SIGLEC9 (0.40) MAPTHSP90AA1HSP90AB1TLR4TLR9
SCHEMBL4978440 0.84 LMNA (0.42) MAPTHSP90AA1HSP90AB1TLR4TLR9
SCHEMBL4979080 0.81 CYP2D6 (0.43) MAPTHSP90AA1HSP90AB1ALDH1A1
SCHEMBL4979058 0.81 KDM2B (0.53) POLBHSP90AA1HSP90AB1KDM2B
SCHEMBL4977211 0.81 POLB (0.48) POLBMAPTHSP90AA1HSP90AB1TLR4
SCHEMBL4978462 0.81 HSP90AB1 (0.44) MAPTHSP90AA1HSP90AB1TLR4TLR9
SCHEMBL4974919 0.81 ALDH1A1 (0.58) MAPTHSP90AA1HSP90AB1TLR4TLR9
SCHEMBL4978441 0.80 HSP90AA1 (0.45) MAPTHSP90AA1HSP90AB1TLR4TLR9
SCHEMBL4979609 0.80 HSP90AB1 (0.44) MAPTHSP90AA1HSP90AB1TLR4TLR9
SCHEMBL4976177 0.80 HSP90AB1 (0.40) MAPTHSP90AA1HSP90AB1TLR4TLR9

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 POLB 1658/4885MAPT 2301/4885HSP90AA1 2689/4885

“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.