SCHEMBL4976502

SCHEMBL4976502

COc1ccccc1OCC(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
TSHR P16473 1/20 0.48
HSP90AB1 P08238 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ORAI1 Q96D31 1/20 0.41
GAA P10253 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
SCHEMBL4979744 0.91 MEN1 (0.50) KDM4EPOLBTDP1KMT2AMEN1
SCHEMBL4979902 0.90 KDM4E (0.54) KDM4EPOLBTDP1TSHRHSP90AB1
SCHEMBL4978729 0.89 LMNA (0.45) KDM4EPOLBTDP1ADRA1AADRA1B
SCHEMBL4976253 0.89 KDM4E (0.48) KDM4EPOLBTDP1TSHRHSP90AB1
SCHEMBL4976714 0.89 KDM4E (0.51) KDM4EPOLBTDP1ADRA1AADRA1B
SCHEMBL14346933 0.88 KDM4E (0.42) KDM4EPOLBTDP1ADRA1AADRA1B
SCHEMBL4975411 0.88 MEN1 (0.47) KDM4EPOLBTDP1HSP90AB1KMT2A
SCHEMBL4976307 0.88 ACHE (0.51) KDM4EPOLBTDP1TSHRHSP90AB1
SCHEMBL4973559 0.88 KDM4E (0.59) KDM4EPOLBTDP1KMT2AMEN1
SCHEMBL4978018 0.86 GAA (0.50) KDM4EPOLBTDP1HSP90AB1KMT2A

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 KDM4E 1865/4885POLB 1658/4885TDP1 899/4885

“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.