SCHEMBL4978650

SCHEMBL4978650

COc1cccc(/C=C/C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.42
HPGD P15428 2/20 0.42
HSP90AB1 P08238 2/20 0.42
NFE2L2 Q16236 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4978659 1.00 LMNA (0.47) LMNAKMT2ATRPM8HPGDHSP90AB1
SCHEMBL4978895 0.93 HSP90AB1 (0.42) LMNAKMT2AHPGDHSP90AB1MAPT
SCHEMBL4978885 0.93 HSP90AB1 (0.42) LMNAKMT2AHPGDHSP90AB1MAPT
SCHEMBL4974875 0.93 HPGD (0.51) HPGDHSP90AB1NFE2L2MAPTSMN1; SMN2
SCHEMBL4974888 0.93 HPGD (0.51) HPGDHSP90AB1NFE2L2MAPTSMN1; SMN2
SCHEMBL4981958 0.89 HSP90AB1 (0.41) LMNAHSP90AB1MAPTSMN1; SMN2TP53
SCHEMBL4981963 0.89 HSP90AB1 (0.41) LMNAHSP90AB1MAPTSMN1; SMN2TP53
SCHEMBL4979716 0.87 HSP90AB1 (0.42) KMT2AHSP90AB1NFE2L2MAPT
SCHEMBL4979726 0.87 HSP90AB1 (0.42) KMT2AHSP90AB1NFE2L2MAPT
SCHEMBL4973644 0.87 LMNA (0.44) LMNAHPGDHSP90AB1MAPTSMN1; SMN2

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 LMNA 4534/4885KMT2A 1417/4885TRPM8 1106/4885

“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.