SCHEMBL4979049

SCHEMBL4979049

Cc1oc(C(C)(C)C)cc1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GLA P06280 1/20 0.48
NPSR1 Q6W5P4 3/20 0.43
HSP90AA1 P07900 6/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSP90AB1 P08238 4/20 0.40
PKM P14618 1/20 0.39
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
TLR4 O00206 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 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
SCHEMBL4981992 0.90 PKM (0.51) ALDH1A1HSP90AA1MAPTMEN1KMT2A
SCHEMBL4976636 0.84 ACACB (0.47) HSP90AA1MEN1KMT2AHSP90AB1PKM
SCHEMBL4976677 0.84 KDM4E (0.43) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL4978891 0.83 HSP90AB1 (0.44) HSP90AA1HSP90AB1PKMACACBACACA
SCHEMBL4980054 0.82 HSP90AA1 (0.41) HSP90AA1MAPTHSP90AB1TLR4TLR9
SCHEMBL4980651 0.81 HSP90AA1 (0.47) HSP90AA1MAPTHSP90AB1TLR4TLR9
SCHEMBL4978059 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1TLR4TLR9TLR8
SCHEMBL4975414 0.81 HSP90AB1 (0.46) HSP90AA1HSP90AB1TLR4TLR9TLR8
SCHEMBL4980285 0.81 GBA1 (0.55) ALDH1A1HSP90AA1HSP90AB1
SCHEMBL4978462 0.80 HSP90AB1 (0.44) HSP90AA1MAPTHSP90AB1TLR4TLR9

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 ALDH1A1 1142/4885GLA 4381/4885NPSR1 195/4885

“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.