SCHEMBL4979083

SCHEMBL4979083

O=C(c1cccc(Cl)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
KDM2B Q8NHM5 2/20 0.55
HSP90AB1 P08238 3/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 3/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.43
PKM P14618 1/20 0.43
CHRM1 P11229 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
SCHEMBL4981391 0.91 HSP90AB1 (0.51) ALDH1A1L3MBTL1KDM4EKDM2BHSP90AB1
SCHEMBL4976453 0.89 HTT (0.56) ALDH1A1L3MBTL1KDM4EHSP90AB1HRH3
SCHEMBL4975997 0.89 KDM2B (0.55) ALDH1A1L3MBTL1KDM4EKDM2BHSP90AB1
SCHEMBL4978554 0.89 HSP90AB1 (0.63) L3MBTL1KDM2BHSP90AB1KMT2AHRH3
SCHEMBL4976359 0.89 HSP90AB1 (0.52) ALDH1A1L3MBTL1KDM4EKDM2BHSP90AB1
SCHEMBL4976479 0.88 HSP90AB1 (0.51) ALDH1A1L3MBTL1KDM4EKDM2BHSP90AB1
SCHEMBL4976987 0.88 HSP90AB1 (0.51) L3MBTL1KDM2BHSP90AB1HRH3KCNH2
SCHEMBL4976464 0.88 HSP90AB1 (0.51) ALDH1A1L3MBTL1KDM4EKDM2BHSP90AB1
SCHEMBL4980365 0.87 HSP90AB1 (0.48) ALDH1A1L3MBTL1KDM4EKDM2BHSP90AB1
SCHEMBL4974914 0.87 MEN1 (0.50) KDM4EKDM2BHSP90AB1MEN1KMT2A

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 ALDH1A1 1142/4885L3MBTL1 2549/4885KDM4E 1865/4885

“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.