SCHEMBL4978729

SCHEMBL4978729

COc1cc(Cl)ccc1OCC(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HSP90AB1 P08238 3/20 0.44
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
HTT P42858 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX12 P18054 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4980423 0.91 LMNA (0.56) LMNAKDM4EHSP90AB1MAPTPOLB
SCHEMBL4978277 0.91 HTT (0.52) LMNAKDM4EHSP90AB1MAPTHTT
SCHEMBL4976502 0.89 KDM4E (0.50) KDM4EHSP90AB1ADRA1AADRA1BPOLB
SCHEMBL4982016 0.86 HSP90AB1 (0.55) KDM4EHSP90AB1TSHRALDH1A1
SCHEMBL4979037 0.86 HSP90AB1 (0.55) KDM4EHSP90AB1TSHRNPC1ALDH1A1
SCHEMBL4980209 0.86 POLB (0.52) KDM4EHSP90AB1MAPTPOLBTDP1
SCHEMBL4975188 0.85 FKBP1A (0.47) KDM4EHSP90AB1MAPTPOLBNPSR1
SCHEMBL4979675 0.85 ALDH1A1 (0.48) LMNAKDM4EHSP90AB1MAPTHTT
SCHEMBL4980666 0.85 SMN1; SMN2 (0.51) LMNAKDM4EHSP90AB1POLBHTT
SCHEMBL4979902 0.84 KDM4E (0.54) KDM4EHSP90AB1MAPTPOLBHTT

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 LMNA 4534/4885KDM4E 1865/4885HSP90AB1 2652/4885

“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.