SCHEMBL4980604

SCHEMBL4980604

O=C(c1ccccc1OC(F)(F)F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.44
HSD11B1 P28845 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
MGLL Q99685 2/20 0.42
KDM4E B2RXH2 3/20 0.42
PTPN11 Q06124 1/20 0.41
MAPT P10636 1/20 0.40
HSP90AA1 P07900 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4980700 0.89 KDM4E (0.56) HSP90AB1HCRTR1HCRTR2KDM4EPTPN11
SCHEMBL4978905 0.87 LMNA (0.47) HSP90AB1HCRTR1HCRTR2KDM4EMAPT
SCHEMBL4976769 0.87 TSHR (0.48) HSP90AB1HCRTR1HCRTR2KDM4EPTPN11
SCHEMBL4978889 0.87 GBA1 (0.47) HSP90AB1HCRTR1HCRTR2PTPN11HSP90AA1
SCHEMBL4976947 0.87 MEN1 (0.53) HSP90AB1HCRTR1HCRTR2KDM4EPTPN11
SCHEMBL4980609 0.86 HSP90AB1 (0.40) HSP90AB1KDM4EPTPN11MAPTHRH3
SCHEMBL4978109 0.86 HSP90AB1 (0.46) HSP90AB1HCRTR1HCRTR2KDM4EPTPN11
SCHEMBL4976400 0.85 HSP90AB1 (0.47) HSP90AB1HCRTR1HCRTR2KDM4EPTPN11
SCHEMBL4973602 0.84 HSP90AB1 (0.49) HSP90AB1HSD11B1MGLLHRH3
SCHEMBL4976903 0.84 HRH3 (0.47) HSP90AB1HCRTR1HCRTR2MGLLKDM4E

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 3 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

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 2652/4885HSD11B1 4086/4885HCRTR1 198/4885

“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.