SCHEMBL4976359

SCHEMBL4976359

O=C(c1ccccc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.52
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KDM2B Q8NHM5 1/20 0.51
HRH3 Q9Y5N1 6/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTPN11 Q06124 1/20 0.47
ACACB O00763 3/20 0.46
ACACA Q13085 3/20 0.46
SLC18A3 Q16572 1/20 0.44

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
SCHEMBL4996485 0.94 HSP90AB1 (0.52) HSP90AB1KDM4EPOLBALDH1A1KDM2B
SCHEMBL4977942 0.92 KDM4E (0.53) HSP90AB1KDM4EPOLBALDH1A1KDM2B
SCHEMBL4976026 0.92 HRH3 (0.54) HSP90AB1KDM4EPOLBALDH1A1KDM2B
SCHEMBL4975336 0.90 HSP90AB1 (0.49) HSP90AB1KDM4EALDH1A1HRH3
SCHEMBL4979058 0.90 KDM2B (0.53) HSP90AB1POLBKDM2BHRH3L3MBTL3
SCHEMBL4977103 0.90 HSP90AB1 (0.63) HSP90AB1KDM4EALDH1A1HRH3L3MBTL3
SCHEMBL4978554 0.90 HSP90AB1 (0.63) HSP90AB1KDM2BHRH3L3MBTL3L3MBTL1
SCHEMBL4978632 0.90 HSP90AB1 (0.51) HSP90AB1KDM4EKDM2BHRH3L3MBTL3
SCHEMBL4974931 0.89 HSP90AB1 (0.48) HSP90AB1POLBALDH1A1HRH3L3MBTL3
SCHEMBL4976040 0.89 HRH3 (0.54) KDM2BHRH3

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 2652/4885KDM4E 1865/4885POLB 1658/4885

“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.