SCHEMBL4980557

SCHEMBL4980557

Cc1ccc(OCC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ACHE P22303 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ORAI1 Q96D31 1/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
FKBP1A P62942 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4976307 0.93 ACHE (0.51) KDM4EALDH1A1KMT2ATDP1ACHE
SCHEMBL4981561 0.91 HSP90AB1 (0.47) KDM4EALDH1A1KMT2ATDP1MEN1
SCHEMBL4980209 0.91 POLB (0.52) KDM4EALDH1A1TDP1MAPTACHE
SCHEMBL4973559 0.91 KDM4E (0.59) KDM4EALDH1A1KMT2ATDP1MEN1
SCHEMBL4978172 0.91 KDM4E (0.45) KDM4EALDH1A1KMT2ATDP1MEN1
SCHEMBL4978179 0.90 NPSR1 (0.58) KDM4EALDH1A1KMT2ATDP1MEN1
SCHEMBL4977142 0.89 KDM4E (0.45) KDM4EALDH1A1TDP1MAPTACHE
SCHEMBL4980666 0.88 SMN1; SMN2 (0.51) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4976178 0.88 MEN1 (0.50) KDM4EKMT2AMEN1MAPTACHE
SCHEMBL4979123 0.88 SMN1; SMN2 (0.54) KDM4EALDH1A1KMT2ATDP1MEN1

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 KDM4E 1865/4885ALDH1A1 1142/4885KMT2A 1417/4885

“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.