SCHEMBL4976307

SCHEMBL4976307

COc1ccc(OCC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ORAI1 Q96D31 1/20 0.51
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSP90AB1 P08238 2/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
FKBP1A P62942 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL4980557 0.93 KDM4E (0.49) ACHEKDM4EALDH1A1ORAI1POLB
SCHEMBL4978018 0.91 GAA (0.50) ACHEKDM4EALDH1A1ORAI1POLB
SCHEMBL4981561 0.91 HSP90AB1 (0.47) ACHEKDM4EALDH1A1POLBTDP1
SCHEMBL4980209 0.91 POLB (0.52) ACHEKDM4EALDH1A1POLBTDP1
SCHEMBL4973559 0.91 KDM4E (0.59) ACHEKDM4EALDH1A1ORAI1POLB
SCHEMBL4978172 0.91 KDM4E (0.45) ACHEKDM4EALDH1A1ORAI1POLB
SCHEMBL4979742 0.90 ALDH1A1 (0.48) KDM4EALDH1A1HSP90AB1TSHRKMT2A
SCHEMBL4977142 0.89 KDM4E (0.45) ACHEKDM4EALDH1A1ORAI1POLB
SCHEMBL4976502 0.88 KDM4E (0.50) KDM4EALDH1A1ORAI1POLBTDP1
SCHEMBL4979123 0.88 SMN1; SMN2 (0.54) ACHEKDM4EALDH1A1POLBTDP1

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 ACHE 2948/4885KDM4E 1865/4885ALDH1A1 1142/4885

“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.