SCHEMBL4996485

SCHEMBL4996485

O=C(c1ccc(-c2ccccc2)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.52
SLC6A7 Q99884 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
ACACB O00763 2/20 0.45
ACACA Q13085 2/20 0.45
KDM2B Q8NHM5 1/20 0.45
FASN P49327 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
HPGD P15428 2/20 0.44
PTPN11 Q06124 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GBA1 P04062 1/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4976359 0.94 HSP90AB1 (0.52) HSP90AB1ALDH1A1KDM4EPOLBACACB
SCHEMBL14346861 0.90 HRH3 (0.48) HSP90AB1SLC6A7ALDH1A1KDM4EPOLB
SCHEMBL4976026 0.90 HRH3 (0.54) HSP90AB1SLC6A7ALDH1A1KDM4EPOLB
SCHEMBL4978554 0.89 HSP90AB1 (0.63) HSP90AB1SLC6A7KDM2BHRH3KMT2A
SCHEMBL4979058 0.89 KDM2B (0.53) HSP90AB1SLC6A7POLBKDM2BHRH3
SCHEMBL4977103 0.89 HSP90AB1 (0.63) HSP90AB1SLC6A7ALDH1A1KDM4EHRH3
SCHEMBL4978632 0.89 HSP90AB1 (0.51) HSP90AB1KDM4EKDM2BHRH3PTPN11
SCHEMBL4977942 0.88 KDM4E (0.53) HSP90AB1ALDH1A1KDM4EPOLBKDM2B
SCHEMBL4974931 0.88 HSP90AB1 (0.48) HSP90AB1ALDH1A1TSHRPOLBHRH3
SCHEMBL4978051 0.88 SLC6A7 (0.53) HSP90AB1SLC6A7ALDH1A1TSHRKDM4E

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 2652/4885SLC6A7 490/4885ALDH1A1 1142/4885

“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.