SCHEMBL4977992

SCHEMBL4977992

O=C(/C=C/c1ccccc1C(F)(F)F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HSP90AB1 P08238 3/20 0.39
NFKB1 P19838 1/20 0.38
PTPN11 Q06124 1/20 0.38
MAPT P10636 1/20 0.37
TLR4 O00206 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALK Q9UM73 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL4978001 1.00 GPR183 (0.40) GPR183TRPV1HRH3HSP90AB1NFKB1
SCHEMBL4976155 0.89 HSP90AB1 (0.42) GPR183HRH3HSP90AB1PTPN11MAPT
SCHEMBL4976144 0.89 HSP90AB1 (0.42) GPR183HRH3HSP90AB1PTPN11MAPT
SCHEMBL4979639 0.87 KDM2B (0.40) GPR183HSP90AB1PTPN11MAPTTLR4
SCHEMBL4974712 0.87 MAPT (0.47) HSP90AB1PTPN11MAPTTLR4TLR9
SCHEMBL4979645 0.87 KDM2B (0.40) GPR183HSP90AB1PTPN11MAPTTLR4
SCHEMBL4974732 0.87 MAPT (0.47) HSP90AB1PTPN11MAPTTLR4TLR9
SCHEMBL4979891 0.87 PTPN11 (0.40) HSP90AB1PTPN11MAPTTLR4TLR9
SCHEMBL4979899 0.87 PTPN11 (0.40) HSP90AB1PTPN11MAPTTLR4TLR9
SCHEMBL4978724 0.87 KDM4E (0.46) HSP90AB1PTPN11MAPTTLR4TLR9

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 GPR183 238/4885TRPV1 278/4885HRH3 1/4885

“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.