SCHEMBL4980657

SCHEMBL4980657

CC(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HSP90AA1 P07900 4/20 0.38
HSP90AB1 P08238 3/20 0.38
MCHR1 Q99705 3/20 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
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
OGA O60502 1/20 0.36

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
SCHEMBL4975230 0.89 HSP90AB1 (0.45) MAPTHSP90AA1HSP90AB1MCHR1HPGD
SCHEMBL4976452 0.89 PTPN11 (0.42) MAPTHSP90AA1HSP90AB1HPGDKDM4E
SCHEMBL4973602 0.86 HSP90AB1 (0.49) HSP90AB1
SCHEMBL4977142 0.84 KDM4E (0.45) MAPTMCHR1KDM4EALDH1A1
SCHEMBL4978678 0.84 HRH3 (0.44) MAPTHSP90AA1HSP90AB1OGA
SCHEMBL4976016 0.84 PANK3 (0.45) MAPTMCHR1KDM4EALDH1A1
SCHEMBL4976501 0.82 MEN1 (0.45) MAPTHSP90AA1HSP90AB1HPGDKMT2A
SCHEMBL4978771 0.81 HSP90AA1 (0.46) MAPTHSP90AA1HSP90AB1TLR4TLR9
SCHEMBL4974605 0.81 ALDH1A1 (0.46) MAPTHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL4977984 0.81 HSP90AB1 (0.47) MAPTHSP90AA1HSP90AB1KDM4E

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 2301/4885HSP90AA1 2689/4885HSP90AB1 2652/4885

“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.