SCHEMBL4975210

SCHEMBL4975210

COc1ccc(C(=O)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GPR6 P46095 1/20 0.42
P2RX7 Q99572 1/20 0.40
SLC6A4 P31645 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
LRRK2 Q5S007 2/20 0.40
TP53 P04637 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4B Q07343 2/20 0.40
PDE4D Q08499 1/20 0.40
MGLL Q99685 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 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
SCHEMBL4978458 0.86 KDM2B (0.52) KDM4EALDH1A1HRH3PDE4BPDE4D
SCHEMBL4976699 0.85 KDM2B (0.55) KDM4EALDH1A1PDE4BHPGD
SCHEMBL4978484 0.83 KDM2B (0.50) KDM4EALDH1A1P2RX7HRH3KCNK3
SCHEMBL4977982 0.83 KDM4E (0.53) KDM4EALDH1A1P2RX7NPC1PDE4B
SCHEMBL4976255 0.83 KCNK3 (0.44) ALDH1A1P2RX7HRH3KCNK3KCNK9
SCHEMBL4976388 0.82 KDM2B (0.53) KDM4EALDH1A1P2RX7KCNK3KCNK9
SCHEMBL4978542 0.81 KDM4E (0.47) KDM4EALDH1A1HRH3KCNK3KCNK9
SCHEMBL4980177 0.81 KCNK3 (0.49) KDM4EALDH1A1P2RX7HRH3KCNK3
SCHEMBL4976961 0.80 HTT (0.53) KDM4EALDH1A1HRH3HPGD
SCHEMBL4980329 0.78 KMT2A (0.43) KDM4EALDH1A1P2RX7HRH3KCNK3

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 1142/4885GPR6 98/4885

“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.