SCHEMBL4976290

SCHEMBL4976290

Clc1ccc(CN2CCc3ncnc(N4CCN(C5CCC5)CC4)c3CC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2A13 Q16696 1/20 0.40
CXCR3 P49682 4/20 0.39
HTR1A P08908 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4978391 0.94 KDM4E (0.43) EPHX2KDM4EALDH1A1HTTNPSR1
SCHEMBL4975288 0.88 HRH3 (0.44) KDM4EALDH1A1HTTCNR1CNR2
SCHEMBL4979833 0.83 TP53 (0.45) KDM4EALDH1A1HTTNPSR1SIGMAR1
SCHEMBL4083239 0.82 HRH1 (0.47) KDM4EALDH1A1HTTNPSR1MEN1
SCHEMBL4976029 0.80 HRH1 (0.44) KDM4EALDH1A1HTTNPSR1POLB
SCHEMBL4974790 0.80 HRH3 (0.48) KDM4EALDH1A1NPSR1CXCR3MEN1
SCHEMBL4981943 0.80 MEN1 (0.55) ALDH1A1HTTPOLBCXCR3MEN1
SCHEMBL4980339 0.80 KDM4E (0.48) KDM4EALDH1A1POLBTDP1MEN1
SCHEMBL4978137 0.80 MEN1 (0.43) CXCR3MEN1KMT2AHRH3HRH1
SCHEMBL4978459 0.79 L3MBTL3 (0.51) MEN1KMT2AHRH3HRH1

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 EPHX2 935/4885KDM4E 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.