SCHEMBL4978685

SCHEMBL4978685

O=C(Cc1cccc(F)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSP90AB1 P08238 4/20 0.44
MAPK1 P28482 1/20 0.42
HRH3 Q9Y5N1 4/20 0.42
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.39
GRM5 P41594 1/20 0.39
HTT P42858 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ACHE P22303 1/20 0.38
PTPN11 Q06124 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
SCHEMBL14346634 0.90 KDM4E (0.44) KDM4EALDH1A1HSP90AB1HRH3TMEM97
SCHEMBL4973578 0.90 KDM4E (0.44) KDM4EALDH1A1HSP90AB1HRH3TMEM97
SCHEMBL4976480 0.90 POLB (0.48) KDM4EALDH1A1HSP90AB1TMEM97SIGMAR1
SCHEMBL4974640 0.90 KDM4E (0.44) KDM4EALDH1A1HSP90AB1MAPK1HRH3
SCHEMBL4977925 0.89 HSP90AB1 (0.48) KDM4EALDH1A1HSP90AB1MAPK1HRH3
SCHEMBL4976061 0.89 KDM4E (0.57) KDM4EALDH1A1HSP90AB1HRH3TMEM97
SCHEMBL4978877 0.89 KMT2A (0.51) KDM4EALDH1A1HTR2CHTR2B
SCHEMBL4976981 0.87 MAPT (0.51) KDM4EALDH1A1HSP90AB1SIGMAR1LMNA
SCHEMBL4976765 0.87 ENPP2 (0.42) KDM4EALDH1A1TMEM97SIGMAR1
SCHEMBL4980761 0.87 KDM4E (0.45) KDM4EALDH1A1HSP90AB1HRH3TMEM97

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 1142/4885HSP90AB1 2652/4885

“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.