SCHEMBL4980599

SCHEMBL4980599

COC(=O)c1ccc(CN2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CHKA P35790 1/20 0.41
CXCR3 P49682 5/20 0.41
HRH3 Q9Y5N1 4/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CFTR P13569 1/20 0.38

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
SCHEMBL4976864 0.90 CXCR3 (0.51) CXCR3HRH3KMT2AMEN1
SCHEMBL4976294 0.85 MEN1 (0.54) ALDH1A1HRH3KMT2AMEN1
SCHEMBL4976766 0.83 HRH3 (0.47) ALDH1A1CXCR3HRH3KDM4EKMT2A
SCHEMBL4071423 0.83 HRH1 (0.46) ALDH1A1HRH3KDM4EKMT2AMEN1
SCHEMBL4980449 0.83 MEN1 (0.43) CXCR3HRH3KMT2AMEN1CFTR
SCHEMBL4980684 0.82 L3MBTL3 (0.47) HRH3KMT2AMEN1
SCHEMBL4981995 0.81 HRH1 (0.49) ALDH1A1HRH3KDM4EKMT2AMEN1
SCHEMBL4976444 0.81 MEN1 (0.43) ALDH1A1CXCR3HRH3KDM4EKMT2A
SCHEMBL4981943 0.78 MEN1 (0.55) ALDH1A1CXCR3HRH3KMT2AMEN1
SCHEMBL4980381 0.78 MEN1 (0.40) ALDH1A1CXCR3HRH3KMT2AMEN1

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 ALDH1A1 1142/4885CHKA 850/4885CXCR3 296/4885

“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.