SCHEMBL4977982

SCHEMBL4977982

COc1ccccc1C(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.46
PDE4B Q07343 1/20 0.45
P2RX7 Q99572 5/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NTSR1 P30989 1/20 0.43
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TYR P14679 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CFTR P13569 1/20 0.41

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
SCHEMBL4978694 0.88 KDM2B (0.52) ALDH1A1P2RX7CYP2C9CYP2C19HTT
SCHEMBL4976392 0.86 MEN1 (0.49) KDM4EALDH1A1P2RX7HTTMEN1
SCHEMBL4976331 0.85 P2RX7 (0.47) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL4980177 0.84 KCNK3 (0.49) KDM4EALDH1A1P2RX7HTTGAA
SCHEMBL4976500 0.84 P2RX7 (0.42) P2RX7MEN1KMT2AGAA
SCHEMBL4978458 0.84 KDM2B (0.52) KDM4EALDH1A1PDE4BKMT2AGAA
SCHEMBL4975210 0.83 KDM4E (0.44) KDM4EALDH1A1PDE4BP2RX7NPC1
SCHEMBL4976699 0.82 KDM2B (0.55) KDM4EALDH1A1PDE4BMEN1KMT2A
SCHEMBL4978484 0.82 KDM2B (0.50) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL4974572 0.81 P2RX7 (0.43) ALDH1A1PDE4BP2RX7HTTCFTR

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 KDM4E 1865/4885ALDH1A1 1142/4885PDE4B 847/4885

“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.