SCHEMBL4978008

SCHEMBL4978008

COc1ccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LRRK2 Q5S007 2/20 0.45
TP53 P04637 1/20 0.44
GPR6 P46095 1/20 0.42
HRH3 Q9Y5N1 6/20 0.42
SLC6A4 P31645 2/20 0.42
TRPV6 Q9H1D0 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL4980664 0.92 KDM4E (0.55) HSP90AB1KDM4EALDH1A1LRRK2TRPV6
SCHEMBL4976790 0.90 HSP90AB1 (0.47) HSP90AB1KDM4EALDH1A1LRRK2TP53
SCHEMBL4978537 0.90 HSP90AB1 (0.52) HSP90AB1ALDH1A1LRRK2HRH3
SCHEMBL4976987 0.90 HSP90AB1 (0.51) HSP90AB1LRRK2HRH3SLC6A4
SCHEMBL4976970 0.88 PDE4B (0.56) HSP90AB1KDM4EALDH1A1LRRK2
SCHEMBL4976713 0.87 HSP90AB1 (0.49) HSP90AB1GPR6HRH3SLC6A4
SCHEMBL4976464 0.87 HSP90AB1 (0.51) HSP90AB1KDM4EALDH1A1LRRK2HRH3
SCHEMBL4979037 0.87 HSP90AB1 (0.55) HSP90AB1KDM4EALDH1A1HRH3NPC1
SCHEMBL4980550 0.86 HSP90AB1 (0.49) HSP90AB1KDM4ENPC1RAB9A
SCHEMBL4979696 0.86 KDM4E (0.52) HSP90AB1KDM4EALDH1A1LRRK2

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 1865/4885ALDH1A1 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.