SCHEMBL4976453

SCHEMBL4976453

O=C(c1cccc(F)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
HSP90AB1 P08238 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
HRH3 Q9Y5N1 3/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.45
KDR P35968 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL4975997 0.89 KDM2B (0.55) HTTHSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL4979083 0.89 ALDH1A1 (0.56) HSP90AB1HRH3KCNH2ALDH1A1KDM4E
SCHEMBL4977103 0.89 HSP90AB1 (0.63) HSP90AB1HRH3KCNH2ALDH1A1KDM4E
SCHEMBL4976359 0.89 HSP90AB1 (0.52) HSP90AB1HRH3ALDH1A1KDM4EL3MBTL3
SCHEMBL4976704 0.89 POLB (0.47) HTTHSP90AB1SMN1; SMN2HPGDGRM5
SCHEMBL4978075 0.88 HSP90AB1 (0.51) HTTHSP90AB1HRH3KCNH2L3MBTL3
SCHEMBL4978522 0.88 KDM4E (0.49) HTTHSP90AB1HRH3ALDH1A1KDM4E
SCHEMBL4976742 0.87 KDM2B (0.57) HSP90AB1HRH3ALDH1A1KDM4EHPGD
SCHEMBL4976208 0.86 KDM4E (0.50) HTTHSP90AB1HRH3KCNH2KDM4E
SCHEMBL4974931 0.86 HSP90AB1 (0.48) HTTHSP90AB1USP2HRH3ALDH1A1

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 HTT 640/4885HSP90AB1 2652/4885TDP1 899/4885

“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.