SCHEMBL4976155

SCHEMBL4976155

O=C(C=Cc1ccccc1F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.42
C3AR1 Q16581 1/20 0.41
PTPN11 Q06124 1/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GPR183 P32249 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CCR2 P41597 1/20 0.37
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 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
SCHEMBL4976144 1.00 HSP90AB1 (0.42) HSP90AB1C3AR1PTPN11MAPTLMNA
SCHEMBL4976999 0.93 HSP90AB1 (0.41) HSP90AB1C3AR1PTPN11MAPTLMNA
SCHEMBL4977007 0.93 HSP90AB1 (0.41) HSP90AB1C3AR1PTPN11MAPTLMNA
SCHEMBL4974732 0.90 MAPT (0.47) HSP90AB1PTPN11MAPTLMNAALDH1A1
SCHEMBL4979899 0.90 PTPN11 (0.40) HSP90AB1PTPN11MAPTTLR4TLR9
SCHEMBL4979645 0.90 KDM2B (0.40) HSP90AB1PTPN11MAPTLMNAGPR183
SCHEMBL4979891 0.90 PTPN11 (0.40) HSP90AB1PTPN11MAPTTLR4TLR9
SCHEMBL4979639 0.90 KDM2B (0.40) HSP90AB1PTPN11MAPTLMNAGPR183
SCHEMBL4974712 0.90 MAPT (0.47) HSP90AB1PTPN11MAPTLMNAALDH1A1
SCHEMBL4977992 0.89 GPR183 (0.40) HSP90AB1PTPN11MAPTGPR183ALDH1A1

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 1 patent. 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

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 HSP90AB1 2652/4885C3AR1 240/4885PTPN11 4015/4885

“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.