SCHEMBL4973602

SCHEMBL4973602

O=C(c1ccc(OC(F)(F)F)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.49
HRH3 Q9Y5N1 7/20 0.45
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPK7 Q13164 3/20 0.43
HSD11B1 P28845 1/20 0.43
SLC6A7 Q99884 1/20 0.42
MGLL Q99685 2/20 0.42
KDM2B Q8NHM5 1/20 0.42
KCNH2 Q12809 1/20 0.41
SCN9A Q15858 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
SCHEMBL4980394 0.88 KDM2B (0.55) HSP90AB1HRH3SLC6A7KDM2BKCNH2
SCHEMBL4977010 0.88 HSP90AB1 (0.51) HSP90AB1HRH3HSD11B1SLC6A7SCN9A
SCHEMBL4977142 0.88 KDM4E (0.45) HRH3
SCHEMBL4976783 0.88 HSP90AB1 (0.49) HSP90AB1HRH3KDM2BKCNH2
SCHEMBL4976016 0.87 PANK3 (0.45) HRH3KCNH2
SCHEMBL4977103 0.87 HSP90AB1 (0.63) HSP90AB1HRH3SLC6A7KCNH2
SCHEMBL4976292 0.87 HPGD (0.48) HSP90AB1HRH3KDM2BKCNH2
SCHEMBL4976026 0.87 HRH3 (0.54) HSP90AB1HRH3SLC6A7KDM2BKCNH2
SCHEMBL4977984 0.86 HSP90AB1 (0.47) HSP90AB1HRH3KDM2BKCNH2
SCHEMBL4980657 0.86 MAPT (0.39) HSP90AB1

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 2652/4885HRH3 1/4885PDE4B 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.