SCHEMBL4974875

SCHEMBL4974875

COc1ccccc1/C=C/C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HSP90AB1 P08238 3/20 0.43
ALDH1A1 P00352 2/20 0.40
TFEB P19484 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL4974888 1.00 HPGD (0.51) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4978650 0.93 LMNA (0.47) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4978659 0.93 LMNA (0.47) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4973644 0.92 LMNA (0.44) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4973639 0.92 LMNA (0.44) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4978489 0.90 HSP90AB1 (0.51) HPGDMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL4976337 0.90 HSP90AB1 (0.51) HPGDMAPTSMN1; SMN2KDM4EHSP90AB1
SCHEMBL4976348 0.90 HSP90AB1 (0.51) HPGDMAPTSMN1; SMN2KDM4EHSP90AB1
SCHEMBL4978474 0.90 HSP90AB1 (0.51) HPGDMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL4979716 0.89 HSP90AB1 (0.42) MAPTHSP90AB1NFE2L2

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 2 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

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 HPGD 159/4885MAPT 2301/4885SMN1; SMN2 3880/4885

“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.