SCHEMBL4980609

SCHEMBL4980609

O=C(Cc1ccccc1OC(F)(F)F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PTPN11 Q06124 1/20 0.38
EPHX2 P34913 3/20 0.37
OXTR P30559 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2J2 P51589 2/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR3 P51677 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL4976253 0.89 KDM4E (0.48) HSP90AB1LMNAMAPTKDM4EALDH1A1
SCHEMBL4976925 0.89 LMNA (0.51) HSP90AB1LMNAMAPTKDM4EALDH1A1
SCHEMBL4974962 0.88 KDM4E (0.41) HSP90AB1LMNAKDM4EALDH1A1PTPN11
SCHEMBL4977153 0.88 RBP4 (0.48) HSP90AB1MAPTKDM4EALDH1A1PTPN11
SCHEMBL4976975 0.87 TMEM97 (0.44) HSP90AB1LMNAMAPTKDM4EALDH1A1
SCHEMBL4974618 0.87 HSP90AB1 (0.43) HSP90AB1LMNAMAPTKDM4EALDH1A1
SCHEMBL4980604 0.86 HSP90AB1 (0.44) HSP90AB1LMNAMAPTKDM4EPTPN11
SCHEMBL4976016 0.85 PANK3 (0.45) MAPTKDM4EALDH1A1HRH3
SCHEMBL4978128 0.85 DGAT1 (0.46) HSP90AB1LMNAMAPTKDM4EALDH1A1
SCHEMBL4980033 0.85 MAPT (0.48) HSP90AB1MAPTKDM4EALDH1A1PTPN11

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 HSP90AB1 2652/4885LMNA 4534/4885MAPT 2301/4885

“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.